| SpectraBase Spectrum ID |
GqSTxDCFWbK |
| Name |
Adipic acid, .beta.-citronellyl ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.230059506 u |
| Formula |
C18H32O4 |
| InChI |
InChI=1S/C18H32O4/c1-5-21-17(19)11-6-7-12-18(20)22-14-13-16(4)10-8-9-15(2)3/h9,16H,5-8,10-14H2,1-4H3 |
| InChIKey |
BSVJZZVSVGXMRF-UHFFFAOYSA-N |
| Molecular Weight |
312.450 g/mol |
| SMILES |
C(CCCC(OCCC(C)CCC=C(C)C)=O)C(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945304 |
