SpectraBase Spectrum ID |
8FyYBmTjcoa |
Name |
Coumarin |
CAS Registry Number |
91-64-5 |
Classification |
Pharmaceutical drug precursor |
Comments |
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 |
901 |
Retention Index |
1415 |
SMILES |
C=12C(C=CC(O2)=O)=CC=CC1 |
SPLASH |
splash10-014j-8900000000-19f62e25c6270589cb6b |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
Chromen-2-one |
Technique |
GC/MS |
Wiley ID |
DD2024_000816 |