| SpectraBase Spectrum ID |
6c8UM0183zK |
| Name |
Cyclohexanecarboxylic acid, 1-chloro-2-(chloromethyl)-, ethyl ester, cis-(.+-.)- |
| CAS Registry Number |
115119-50-1 |
| Comments |
Edited after expert review for CH2Cl2 contamination - Original record with SpectrumID 1240078 moved to the Legacy library |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C10H16Cl2O2 |
| InChI |
InChI=1S/C10H16Cl2O2/c1-2-14-9(13)10(12)6-4-3-5-8(10)7-11/h8H,2-7H2,1H3/t8-,10+/m1/s1 |
| InChIKey |
YOEADLLGTSCCNX-SCZZXKLOSA-N |
| Molecular Weight |
239.142 g/mol |
| SMILES |
[C@@]1(C(=O)OCC)([C@@](CCl)(CCCC1)[H])Cl |
| SPLASH |
splash10-015c-9810000000-dce5e23323fb463cc06b |
| Source of Spectrum |
C-110-5540-19 |
| Synonyms |
Ethyl (1S,2R)-1-chloro-2-(chloromethyl)cyclohexanecarboxylate
Ethyl cis-1-chloro-2-(chloromethyl)cyclohexane-1-carboxylate |
| Wiley ID |
1821226 |
