| SpectraBase Spectrum ID |
9GMJBl6NmuH |
| Name |
Adipic acid, .beta.-citronellyl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.245709571 u |
| Formula |
C19H34O4 |
| InChI |
InChI=1S/C19H34O4/c1-5-14-22-18(20)11-6-7-12-19(21)23-15-13-17(4)10-8-9-16(2)3/h9,17H,5-8,10-15H2,1-4H3 |
| InChIKey |
JGZDRQVWOPDJRK-UHFFFAOYSA-N |
| Molecular Weight |
326.477 g/mol |
| SMILES |
C(CCCC(OCCC(C)CCC=C(C)C)=O)C(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959024 |
