| SpectraBase Spectrum ID |
GVFjFP9bBLs |
| Name |
4-Methyl-5,7-dihydroxycoumarin |
| CAS Registry Number |
2107-76-8 |
| Classification |
Pharmaceutical drug, anticoagulant |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
192.042258734 u |
| Formula |
C10H8O4 |
| InChI |
InChI=1S/C10H8O4/c1-5-2-9(13)14-8-4-6(11)3-7(12)10(5)8/h2-4,11-12H,1H3 |
| InChIKey |
QNVWGEJMXOQQPM-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
192.170 g/mol |
| Nominal Mass |
192 u |
| Quality |
870 |
| Retention Index |
1426 |
| SMILES |
OC=1C=C2C(=C(C1)O)C(=CC(O2)=O)C |
| SPLASH |
splash10-03dl-2900000000-1580d1fe7a2513289e5b |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
5,7-Dihydroxy-4-methyl-2H-benzopyran-2-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_002102 |
