| SpectraBase Spectrum ID |
Ktw3opyZZhK |
| Name |
(2R*,1'R*,2'R*)-2-(2'-Chloro-1'-hydroxycyclohextyl)-2-phenylacetic acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H17ClO3 |
| InChI |
InChI=1S/C14H17ClO3/c15-11-8-4-5-9-14(11,18)12(13(16)17)10-6-2-1-3-7-10/h1-3,6-7,11-12,18H,4-5,8-9H2,(H,16,17)/t11-,12+,14+/m1/s1 |
| InChIKey |
KGIJPAUDCZKGOD-DYEKYZERSA-N |
| Molecular Weight |
268.740 g/mol |
| SMILES |
O[C@]1([C@](C(=O)O)(c2ccccc2)[H])[C@](Cl)(CCCC1)[H] |
| SPLASH |
splash10-014i-0090000000-3f6be7cb9f299cc8954f |
| Source of Spectrum |
SO-0-272-8 |
| Synonyms |
(2R)-2-[(1R,2R)-2-chloro-1-hydroxycyclohexyl]-2-phenylacetic acid
(2R)-2-[(1R,2R)-2-chloranyl-1-oxidanyl-cyclohexyl]-2-phenyl-ethanoic acid |
| Wiley ID |
865372 |
