| SpectraBase Spectrum ID |
3MRGAjwsznq |
| Name |
Heptadecanedioic acid, 2-ethyl-, 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/c1-4-19(21(23)25-3)17-15-13-11-9-7-5-6-8-10-12-14-16-18-20(22)24-2/h19H,4-18H2,1-3H3 |
| InChIKey |
LWLDCOTYWLFZSR-UHFFFAOYSA-N |
| Molecular Weight |
356.547 g/mol |
| SMILES |
C(C(CCCCCCCCCCCCCCC(OC)=O)CC)(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.917535 |
