| SpectraBase Spectrum ID |
GZDMKfOmA2M |
| Name |
Fumaric acid, hexyl 2-methylcyclohex-1-enylmethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
308.198759378 u |
| Formula |
C18H28O4 |
| InChI |
InChI=1S/C18H28O4/c1-3-4-5-8-13-21-17(19)11-12-18(20)22-14-16-10-7-6-9-15(16)2/h11-12H,3-10,13-14H2,1-2H3/b12-11+ |
| InChIKey |
RGWWHGRSCISONH-VAWYXSNFSA-N |
| Molecular Weight |
308.418 g/mol |
| SMILES |
C1CC(=C(CC1)COC(\C=C\C(OCCCCCC)=O)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.910552 |
