| SpectraBase Spectrum ID |
BjE6BjqMGej |
| Name |
Fumaric acid, isohexyl myrtenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.214409442 u |
| Formula |
C20H30O4 |
| InChI |
InChI=1S/C20H30O4/c1-14(2)6-5-9-23-18(21)7-8-19(22)24-13-15-10-16-12-17(11-15)20(16,3)4/h7-8,10,14,16-17H,5-6,9,11-13H2,1-4H3/b8-7+ |
| InChIKey |
XMDWODOZBWLMRL-BQYQJAHWSA-N |
| Molecular Weight |
334.456 g/mol |
| SMILES |
C(\C=C\C(OCCCC(C)C)=O)(OCC1=CC2C(C)(C)C(C1)C2)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.84861 |
