| SpectraBase Spectrum ID |
EM7ps5fPp4b |
| Name |
Glutaric acid, (2-chlorocyclohexyl)methyl hept-2-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
360.206737239 u |
| Formula |
C19H33ClO4 |
| InChI |
InChI=1S/C19H33ClO4/c1-3-4-5-9-15(2)24-19(22)13-8-12-18(21)23-14-16-10-6-7-11-17(16)20/h15-17H,3-14H2,1-2H3 |
| InChIKey |
YRFAQQBKVGKZJD-UHFFFAOYSA-N |
| Molecular Weight |
360.922 g/mol |
| SMILES |
C(CCC(OC(C)CCCCC)=O)C(OCC1C(CCCC1)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.839898 |
