| SpectraBase Spectrum ID |
LjwMwP7G14D |
| Name |
(S)-3,7-Dimethyl-8-chloro-6-octenyl acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
232.123007614 u |
| Formula |
C12H21ClO2 |
| InChI |
InChI=1S/C12H21ClO2/c1-10(7-8-15-12(3)14)5-4-6-11(2)9-13/h6,10H,4-5,7-9H2,1-3H3/b11-6+/t10-/m0/s1 |
| InChIKey |
RZAYYBHOSZRQJC-OTXQMUPVSA-N |
| Molecular Weight |
232.751 g/mol |
| SMILES |
C(=O)(OCC[C@](CC\C=C\(CCl)C)(C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943497 |
