| SpectraBase Spectrum ID |
4HV2ebT3XAn |
| Name |
6-Chlorohexanoic acid, 4-methoxy-2-methylbutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.133572298 u |
| Formula |
C12H23ClO3 |
| InChI |
InChI=1S/C12H23ClO3/c1-11(7-9-15-2)10-16-12(14)6-4-3-5-8-13/h11H,3-10H2,1-2H3 |
| InChIKey |
LGSOBKQSTTXLJH-UHFFFAOYSA-N |
| Molecular Weight |
250.766 g/mol |
| SMILES |
C(CCCCCCl)(=O)OCC(CCOC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961735 |
