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(2'S*,3'R*)-2-(3'-Chloro-2'-hydroxybicyclo[2.2.1]hept-2'-yl)-2-methylpropanoic acid

View entire compound with spectra: 2 MS (GC)

(2'S*,3'R*)-2-(3'-Chloro-2'-hydroxybicyclo[2.2.1]hept-2'-yl)-2-methylpropanoic acid
SpectraBase Compound ID H3S9a3Qjd5k
InChI InChI=1S/C11H17ClO3/c1-10(2,9(13)14)11(15)7-4-3-6(5-7)8(11)12/h6-8,15H,3-5H2,1-2H3,(H,13,14)/t6?,7?,8-,11-/m1/s1
InChIKey UYASOFJJWLVTME-MNMOATOFSA-N
Mol Weight 232.71 g/mol
Molecular Formula C11H17ClO3
Exact Mass 232.086622 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 16MEvUebUa9
Name (2'S*,3'R*)-2-(3'-Chloro-2'-hydroxybicyclo[2.2.1]hept-2'-yl)-2-methylpropanoic acid
Comments Removed - expert review: contamination (CH2Cl2); A corrected record has been addded having SpectrumID: 1821086
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H17ClO3
InChI InChI=1S/C11H17ClO3/c1-10(2,9(13)14)11(15)7-4-3-6(5-7)8(11)12/h6-8,15H,3-5H2,1-2H3,(H,13,14)/t6?,7?,8-,11-/m1/s1
InChIKey UYASOFJJWLVTME-MNMOATOFSA-N
Molecular Weight 232.707 g/mol
SMILES OC(C([C@]1(C2CC([C@]1(Cl)[H])CC2)O)(C)C)=O
SPLASH splash10-000i-9100000000-33c7035cebc4b8584290
Source of Spectrum SO-0-269-6
Synonyms 2-((2S,3R)-3-Chloro-2-hydroxy-bicyclo[2.2.1]hept-2-yl)-2-methyl-propionic acid 2-[(2S,3R)-3-chloro-2-hydroxybicyclo[2.2.1]hept-2-yl]-2-methylpropanoic acid
Wiley ID 865383