| SpectraBase Spectrum ID |
4oVSZsgVBoK |
| Name |
Tridecanedioic acid, 2-hexyl-, dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
356.292659764 u |
| Formula |
C21H40O4 |
| InChI |
InChI=1S/C21H40O4/c1-4-5-6-13-16-19(21(23)25-3)17-14-11-9-7-8-10-12-15-18-20(22)24-2/h19H,4-18H2,1-3H3 |
| InChIKey |
AKCDUQGSIKCXRL-UHFFFAOYSA-N |
| Molecular Weight |
356.547 g/mol |
| SMILES |
C(C(CCCCCCCCCCC(OC)=O)CCCCCC)(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928447 |
