| SpectraBase Spectrum ID |
AOvvAWf4HvH |
| Name |
Glutaric acid, 3-chlorophenyl neryl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
378.159787045 u |
| Formula |
C21H27ClO4 |
| InChI |
InChI=1S/C21H27ClO4/c1-16(2)7-4-8-17(3)13-14-25-20(23)11-6-12-21(24)26-19-10-5-9-18(22)15-19/h5,7,9-10,13,15H,4,6,8,11-12,14H2,1-3H3/b17-13- |
| InChIKey |
HWTHFXFJZAAXEE-LGMDPLHJSA-N |
| Molecular Weight |
378.896 g/mol |
| SMILES |
C(CCC(OC1=CC(=CC=C1)Cl)=O)C(OC\C=C\(C)CCC=C(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.836356 |
