| SpectraBase Spectrum ID |
DoVvsRTcFlY |
| Name |
4-Hydroxycoumarin |
| CAS Registry Number |
1076-38-6 |
| Classification |
Pharmaceutical drug, antibacterial |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
162.031694050 u |
| Formula |
C9H6O3 |
| InChI |
InChI=1S/C9H6O3/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5,10H |
| InChIKey |
VXIXUWQIVKSKSA-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
162.144 g/mol |
| Nominal Mass |
162 u |
| Quality |
883 |
| Retention Index |
1784 |
| SMILES |
OC=1C=2C(OC(C1)=O)=CC=CC2 |
| SPLASH |
splash10-03kc-9800000000-4ba999f4c4603911c6e4 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Brodifacoum-A
4-Hydroxy-2H-1-benzopyran-2-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_006033 |
