| SpectraBase Spectrum ID |
9YikUFdB83y |
| Name |
Benzoic acid, 5-[2-acetoxy-4,6-bis(ethoxycarbonylmethyl)cyclohexyl]-2,4-dimethoxyphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
570.246497414 u |
| Formula |
C31H38O10 |
| InChI |
InChI=1S/C31H38O10/c1-6-38-28(33)15-20-13-22(16-29(34)39-7-2)30(27(14-20)40-19(3)32)23-17-26(25(37-5)18-24(23)36-4)41-31(35)21-11-9-8-10-12-21/h8-12,17-18,20,22,27,30H,6-7,13-16H2,1-5H3 |
| InChIKey |
AQZVVIPCBBMDNB-UHFFFAOYSA-N |
| Molecular Weight |
570.635 g/mol |
| SMILES |
C1(=C(C=C(C(=C1)OC(C1=CC=CC=C1)=O)OC)OC)C1C(CC(CC1OC(C)=O)CC(OCC)=O)CC(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951288 |
![Benzoic acid, 5-[2-acetoxy-4,6-bis(ethoxycarbonylmethyl)cyclohexyl]-2,4-dimethoxyphenyl ester](/api/spectrum/9YikUFdB83y/structure.png?h=300&w=458 "Benzoic acid, 5-[2-acetoxy-4,6-bis(ethoxycarbonylmethyl)cyclohexyl]-2,4-dimethoxyphenyl ester")
