| SpectraBase Spectrum ID |
Hdc1PN8zVsW |
| Name |
Adipic acid, di(.beta.-citronellyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
422.339609957 u |
| Formula |
C26H46O4 |
| InChI |
InChI=1S/C26H46O4/c1-21(2)11-9-13-23(5)17-19-29-25(27)15-7-8-16-26(28)30-20-18-24(6)14-10-12-22(3)4/h11-12,23-24H,7-10,13-20H2,1-6H3 |
| InChIKey |
JYCAVOFTMMNBEY-UHFFFAOYSA-N |
| Molecular Weight |
422.650 g/mol |
| SMILES |
C(CCCC(OCCC(C)CCC=C(C)C)=O)C(OCCC(C)CCC=C(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.987616 |
