| SpectraBase Spectrum ID |
1T0fETX2V75 |
| Name |
COUMAFURYL |
| CAS Registry Number |
117-52-2 |
| 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 |
298.084123546 u |
| Formula |
C17H14O5 |
| InChI |
InChI=1S/C17H14O5/c1-10(18)9-12(13-7-4-8-21-13)15-16(19)11-5-2-3-6-14(11)22-17(15)20/h2-8,12,20H,9H2,1H3 |
| InChIKey |
VGVYRHYDNGFIGF-UHFFFAOYSA-N |
| Molecular Weight |
298.294 g/mol |
| Nominal Mass |
298 u |
| Number of Peaks |
99 |
| SMILES |
OC1=C(C(c2ccccc2O1)=O)C(CC(C)=O)c1ccco1 |
| SPLASH |
splash10-0abc-6790000000-8aa10a1bd7fabf9e713b |
| Source of Spectrum |
Dr. Rolf Kuehnle |
| Synonyms |
3-[1-(2-furyl)-3-oxobutyl]-2-hydroxy-4H-chromen-4-one |
| Technique |
GC/MS |
| Wiley ID |
WID_MSPA_4356 |
