| SpectraBase Spectrum ID |
2pCHBtwh6Lg |
| Name |
Coumarin-3-carboxylic acid |
| CAS Registry Number |
531-81-7 |
| Classification |
Schistosomiasis treatment |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
190.026608669 u |
| Formula |
C10H6O4 |
| InChI |
InChI=1S/C10H6O4/c11-9(12)7-5-6-3-1-2-4-8(6)14-10(7)13/h1-5H,(H,11,12) |
| InChIKey |
ACMLKANOGIVEPB-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
190.154 g/mol |
| Nominal Mass |
190 u |
| Quality |
920 |
| Retention Index |
1414 |
| SMILES |
OC(C=1C(OC=2C(C1)=CC=CC2)=O)=O |
| SPLASH |
splash10-0002-5900000000-521516460380d2148e5f |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-oxo-2H-chromene-3-carboxylic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000818 |
