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Spirohexane-1-carboxylic acid, 1-chloro-2-phenyl-, 1,1-dimethylethyl ester, trans-
SpectraBase Compound ID EZwlCDrBH9
InChI InChI=1S/C17H21ClO2/c1-15(2,3)20-14(19)17(18)13(16(17)10-7-11-16)12-8-5-4-6-9-12/h4-6,8-9,13H,7,10-11H2,1-3H3/t13-,17+/m1/s1
InChIKey XYHONUSLWSHULT-DYVFJYSZSA-N
Mol Weight 292.81 g/mol
Molecular Formula C17H21ClO2
Exact Mass 292.123008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5DNPwGT88u4
Name Spirohexane-1-carboxylic acid, 1-chloro-2-phenyl-, 1,1-dimethylethyl ester, trans-
CAS Registry Number 87957-58-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21ClO2
InChI InChI=1S/C17H21ClO2/c1-15(2,3)20-14(19)17(18)13(16(17)10-7-11-16)12-8-5-4-6-9-12/h4-6,8-9,13H,7,10-11H2,1-3H3/t13-,17+/m1/s1
InChIKey XYHONUSLWSHULT-DYVFJYSZSA-N
Molecular Weight 292.806 g/mol
SMILES [C@@]1(C2(CCC2)[C@]1(c1ccccc1)[H])(C(OC(C)(C)C)=O)Cl
SPLASH splash10-0a4i-6090000000-d48ead37891ca9e9154e
Source of Spectrum K-116-3105-0
Synonyms tert-Butyl (1R,2R)-1-chloro-2-phenylspiro[2.3]hexane-1-carboxylate tert-Butylester of 1-chloro-c-2-phenyl-spiro[2.3]hexan-r-1-carboxylic acid
Wiley ID 1295515