| SpectraBase Spectrum ID |
BDOJtTOSRMT |
| Name |
(2E)-6-Methoxy-2-(2-methylbenzylidene)coumaran-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
266.094294308 u |
| Formula |
C17H14O3 |
| InChI |
InChI=1S/C17H14O3/c1-11-5-3-4-6-12(11)9-16-17(18)14-8-7-13(19-2)10-15(14)20-16/h3-10H,1-2H3/b16-9+ |
| InChIKey |
XKZIXQXQVDIDCC-CXUHLZMHSA-N |
| Molecular Weight |
266.296 g/mol |
| SMILES |
C1(\C(OC2=CC(=CC=C12)OC)=C/C=1C(C)=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.86369 |
