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(2R*,1'R*,2'R*)-2-(2'-Chloro-1'-hydroxycyclohextyl)-2-phenylacetic acid

View entire compound with spectra: 1 MS (GC)

(2R*,1'R*,2'R*)-2-(2'-Chloro-1'-hydroxycyclohextyl)-2-phenylacetic acid
SpectraBase Compound ID GIWegDYuOIe
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
Mol Weight 268.74 g/mol
Molecular Formula C14H17ClO3
Exact Mass 268.086622 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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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
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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