| SpectraBase Spectrum ID |
36XiBs7AORF |
| Name |
Benzoic acid, 3-[2-(acetyloxy)ethyl]-6-(methoxymethyl)-2,4-dimethyl-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
294.146723803 u |
| Formula |
C16H22O5 |
| InChI |
InChI=1S/C16H22O5/c1-10-8-13(9-19-4)15(16(18)20-5)11(2)14(10)6-7-21-12(3)17/h8H,6-7,9H2,1-5H3 |
| InChIKey |
YRPVRHKYIPXQEI-UHFFFAOYSA-N |
| Molecular Weight |
294.347 g/mol |
| SMILES |
C=1(C(=C(COC)C=C(C1CCOC(=O)C)C)C(=O)OC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935855 |
![Benzoic acid, 3-[2-(acetyloxy)ethyl]-6-(methoxymethyl)-2,4-dimethyl-, methyl ester](/api/spectrum/36XiBs7AORF/structure.png?h=300&w=458 "Benzoic acid, 3-[2-(acetyloxy)ethyl]-6-(methoxymethyl)-2,4-dimethyl-, methyl ester")
