| SpectraBase Spectrum ID |
H9Z1gzFr9WY |
| Name |
3-Methyl-3-(4'-methyl-3'-cyclohexenyl)-.gamma.-(2'',2''-dichlorobutyrolactone) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
262.052735153 u |
| Formula |
C12H16Cl2O2 |
| InChI |
InChI=1S/C12H16Cl2O2/c1-8-3-5-9(6-4-8)11(2)7-16-10(15)12(11,13)14/h3,9H,4-7H2,1-2H3 |
| InChIKey |
ZBVLOVLVDFQUOW-UHFFFAOYSA-N |
| Molecular Weight |
263.164 g/mol |
| SMILES |
C1(C(C(=O)OC1)(Cl)Cl)(C1CC=C(CC1)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.890353 |
