| SpectraBase Spectrum ID |
5rs91dvs9YO |
| Name |
Fumaric acid, 2-methyl-4-methoxybutyl undecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
370.271924319 u |
| Formula |
C21H38O5 |
| InChI |
InChI=1S/C21H38O5/c1-4-5-6-7-8-9-10-11-12-16-25-20(22)13-14-21(23)26-18-19(2)15-17-24-3/h13-14,19H,4-12,15-18H2,1-3H3/b14-13+ |
| InChIKey |
PJAGCHZGZMFFEY-BUHFOSPRSA-N |
| Molecular Weight |
370.530 g/mol |
| SMILES |
C(\C=C\C(OCC(CCOC)C)=O)(OCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961202 |
