| SpectraBase Spectrum ID |
16G9oq4rDv4 |
| Name |
Fumaric acid, isobutyl myrtenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.183109313 u |
| Formula |
C18H26O4 |
| InChI |
InChI=1S/C18H26O4/c1-12(2)10-21-16(19)5-6-17(20)22-11-13-7-14-9-15(8-13)18(14,3)4/h5-7,12,14-15H,8-11H2,1-4H3/b6-5+ |
| InChIKey |
ZNIKRHJVVJVRBN-AATRIKPKSA-N |
| Molecular Weight |
306.402 g/mol |
| SMILES |
C(\C=C\C(OCC(C)C)=O)(OCC1=CC2C(C)(C)C(C1)C2)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.878532 |
