| SpectraBase Spectrum ID |
1H3aqA5wrAl |
| Name |
Glutaric acid, myrtenyl dec-2-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
406.308309828 u |
| Formula |
C25H42O4 |
| InChI |
InChI=1S/C25H42O4/c1-5-6-7-8-9-10-12-19(2)29-24(27)14-11-13-23(26)28-18-20-15-16-21-17-22(20)25(21,3)4/h15,19,21-22H,5-14,16-18H2,1-4H3 |
| InChIKey |
FRCFUZJNIZONDC-UHFFFAOYSA-N |
| Molecular Weight |
406.607 g/mol |
| SMILES |
C(CCC(OC(CCCCCCCC)C)=O)C(OCC=1C2C(C(CC1)C2)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.823371 |
