| SpectraBase Spectrum ID |
95O8XjSQ7Mv |
| Name |
Benzoic acid, 2-hydroxy-4-methoxy-6-methyl-, 3-(methoxycarbonyl)phenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
316.094688229 u |
| Formula |
C17H16O6 |
| InChI |
InChI=1S/C17H16O6/c1-10-7-13(21-2)9-14(18)15(10)17(20)23-12-6-4-5-11(8-12)16(19)22-3/h4-9,18H,1-3H3 |
| InChIKey |
PNDIGXNNXCJVPY-UHFFFAOYSA-N |
| Molecular Weight |
316.309 g/mol |
| SMILES |
C=1(C(OC=2C=C(C(=O)OC)C=CC2)=O)C(=CC(=CC1C)OC)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956042 |
