covnmr_identify
Identify a spectrum against a curated reference set: 7 qNMR standards + 32 common impurities/solvents (39 entries total) — not a general or natural-product compound database. Good for confirming a known standard or a common impurity; will not identify an unknown natural product or a novel structure.
Nucleus coverage differs, and the response states it in `nucleus_coverage`
rather than leaving it to this text. 1H: all 39 entries, 7 solvents. 13C:
30 of the 32 impurities, CDCl3 and DMSO-d6 only (Fulmer et al.,
Organometallics 2010, 29, 2176-2179, on the 77.16 scale); the 7 qNMR
standards carry no 13C because neither canonical table lists them, and
water and hydrocarbon grease are excluded for having no carbon and no
citable value. Other solvents fall back to the CDCl3/DMSO-d6 rows.
Read the top score, not the ranking: a random 8-peak carbon list averages
0.24 against its best table entry and has reached 0.625, while every
compound that IS in the table self-matches at 0.800 or better. Only a
score near 1.0 is an identification — anything lower is the nearest
neighbour in a 40-compound table, which is not the same claim.Input Schema
TableJSON Schema
| Name | Required | Description | Default |
|---|---|---|---|
| path | Yes | ||
| api_key | No | ||
| nucleus | No | ||
| solvent | No | CDCl3 | |
| max_candidates | No |
Output Schema
TableJSON Schema
| Name | Required | Description | Default |
|---|---|---|---|
| result | Yes |