| SpectraBase Spectrum ID |
IQzv3owkJmG |
| Name |
Coumarin |
| Source of Sample |
Sigma-Aldrich Cat. #45706 |
| CAS Registry Number |
81-81-2 |
| Classification |
Pesticides: Rodenticides |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
308.104858991 u |
| Formula |
C19H16O4 |
| InChI |
InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3 |
| InChIKey |
PJVWKTKQMONHTI-UHFFFAOYSA-N |
| Molecular Weight |
308.333 g/mol |
| Number of Peaks |
49 |
| RI1 |
2674 |
| SMILES |
OC1=C(C(Oc2ccccc12)=O)C(CC(=O)C)c1ccccc1 |
| SPLASH |
splash10-014i-4891000000-224fda75517cdd3ec099 |
| Sample Comments |
RI1: measured on SLB-5ms (Alkanes)
RI2: measured on Equity-1 (Alkanes) |
| Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Synonyms |
2H-1-Benzopyran-2-one, 4-hydroxy-3-(3-oxo-1-phenylbutyl)- |
| Wiley ID |
LM_PEST_494 |
