| SpectraBase Spectrum ID |
Lc7nwmAvGUB |
| Name |
Glutaric acid, myrtenyl 2-ethylhexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
378.277009700 u |
| Formula |
C23H38O4 |
| InChI |
InChI=1S/C23H38O4/c1-5-7-9-17(6-2)15-26-21(24)10-8-11-22(25)27-16-18-12-13-19-14-20(18)23(19,3)4/h12,17,19-20H,5-11,13-16H2,1-4H3 |
| InChIKey |
MUXWMNPKPQQYGZ-UHFFFAOYSA-N |
| Molecular Weight |
378.553 g/mol |
| SMILES |
C(CCC(OCC(CC)CCCC)=O)C(OCC=1C2C(C(CC1)C2)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.909963 |
