| SpectraBase Spectrum ID |
DDcWmuWujzs |
| Name |
Benzoic acid, 3-[(dihydro-2(3H)-furanylidene)methyl]-, methyl ester, (E)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
218.094294308 u |
| Formula |
C13H14O3 |
| InChI |
InChI=1S/C13H14O3/c1-15-13(14)11-5-2-4-10(8-11)9-12-6-3-7-16-12/h2,4-5,8-9H,3,6-7H2,1H3/b12-9+ |
| InChIKey |
LQYONGUXXGTZRF-FMIVXFBMSA-N |
| Molecular Weight |
218.252 g/mol |
| SMILES |
C(C1=CC(\C=C/2OCCC2)=CC=C1)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937541 |
![Benzoic acid, 3-[(dihydro-2(3H)-furanylidene)methyl]-, methyl ester, (E)-](/api/spectrum/DDcWmuWujzs/structure.png?h=300&w=458 "Benzoic acid, 3-[(dihydro-2(3H)-furanylidene)methyl]-, methyl ester, (E)-")
