| SpectraBase Spectrum ID |
FsJidR4y2YL |
| Name |
Glutaric acid, 2-methylpent-3-yl neryl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.261359635 u |
| Formula |
C21H36O4 |
| InChI |
InChI=1S/C21H36O4/c1-7-19(17(4)5)25-21(23)13-9-12-20(22)24-15-14-18(6)11-8-10-16(2)3/h10,14,17,19H,7-9,11-13,15H2,1-6H3/b18-14- |
| InChIKey |
MTJCBYRBOOKDQC-JXAWBTAJSA-N |
| Molecular Weight |
352.515 g/mol |
| SMILES |
C(CCC(OC(CC)C(C)C)=O)C(OC\C=C\(C)CCC=C(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.892761 |
