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1,2-Cyclohexanediacetic acid, 1-phenyl-, cis-
SpectraBase Compound ID KgCs37pfWzy
InChI InChI=1S/C16H20O4/c17-14(18)10-13-8-4-5-9-16(13,11-15(19)20)12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H,17,18)(H,19,20)/t13-,16+/m1/s1
InChIKey GLMXNVYGOONMEE-CJNGLKHVSA-N
Mol Weight 276.33 g/mol
Molecular Formula C16H20O4
Exact Mass 276.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3SGOxyhFDPo
Name 1,2-Cyclohexanediacetic acid, 1-phenyl-, cis-
Alternate Name(s) 1,2-Di(carboxymethyl)-1-phenylcyclohexane [(1R,2R)-2-(carboxymethyl)-1-phenylcyclohexyl]acetic acid
CAS Registry Number 117661-01-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O4
InChI InChI=1S/C16H20O4/c17-14(18)10-13-8-4-5-9-16(13,11-15(19)20)12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H,17,18)(H,19,20)/t13-,16+/m1/s1
InChIKey GLMXNVYGOONMEE-CJNGLKHVSA-N
Molecular Weight 276.332 g/mol
SMILES OC(C[C@@]1([C@](CC(=O)O)(CCCC1)c1ccccc1)[H])=O
SPLASH splash10-0fr6-6930000000-df266ec62c1d67f73e50
Source of Spectrum F-44-1570-5
Wiley ID 1280155