| SpectraBase Spectrum ID |
IlmSpipoYmb |
| Name |
Fumaric acid, 2-methylcyclohex-1-enylmethyl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
266.151809184 u |
| Formula |
C15H22O4 |
| InChI |
InChI=1S/C15H22O4/c1-3-10-18-14(16)8-9-15(17)19-11-13-7-5-4-6-12(13)2/h8-9H,3-7,10-11H2,1-2H3/b9-8+ |
| InChIKey |
OEJSRQQQPAZZCD-CMDGGOBGSA-N |
| Molecular Weight |
266.337 g/mol |
| SMILES |
CC=1CCCCC1COC(\C=C\C(OCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.98421 |
