| SpectraBase Spectrum ID |
CLeKSBHEB97 |
| Name |
Coumaran-5,6-diol-3-one, 2-[4-methoxybenzylidene]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
284.068473481 u |
| Formula |
C16H12O5 |
| InChI |
InChI=1S/C16H12O5/c1-20-10-4-2-9(3-5-10)6-15-16(19)11-7-12(17)13(18)8-14(11)21-15/h2-8,17-18H,1H3/b15-6- |
| InChIKey |
ULFGOSADPOPRRI-UUASQNMZSA-N |
| SMILES |
C12=C(C=C(C(=C2)O)O)O\C(C1=O)=C\C=1C=CC(=CC1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95157 |
![Coumaran-5,6-diol-3-one, 2-[4-methoxybenzylidene]-](/api/spectrum/CLeKSBHEB97/structure.png?h=300&w=458 "Coumaran-5,6-diol-3-one, 2-[4-methoxybenzylidene]-")
