| SpectraBase Spectrum ID |
GY8brBfo5po |
| Name |
Coumarin |
| CAS Registry Number |
91-64-5 |
| Classification |
Pharmaceutical drug precursor |
| Comments |
Spectrum verified by crosschecking against external libraries (five 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 |
146.036779431 u |
| Formula |
C9H6O2 |
| InChI |
InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H |
| InChIKey |
ZYGHJZDHTFUPRJ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
146.145 g/mol |
| Nominal Mass |
146 u |
| Quality |
968 |
| Retention Index |
1415 |
| SMILES |
C=12C(C=CC(O2)=O)=CC=CC1 |
| SPLASH |
splash10-014j-9800000000-c1e36d030c1d3108e035 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Chromen-2-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_007521 |
