| SpectraBase Spectrum ID |
IVO8e0f1E8e |
| Name |
Benzoic acid, 4-hydroxy-2-methoxy-6-(phenylmethyl)-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
272.104858991 u |
| Formula |
C16H16O4 |
| InChI |
InChI=1S/C16H16O4/c1-19-14-10-13(17)9-12(15(14)16(18)20-2)8-11-6-4-3-5-7-11/h3-7,9-10,17H,8H2,1-2H3 |
| InChIKey |
RFHQYYVNDOWPFK-UHFFFAOYSA-N |
| Molecular Weight |
272.300 g/mol |
| SMILES |
C1(=C(C=C(C=C1OC)O)CC=1C=CC=CC1)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.830075 |
