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(1R,3S,5S)-6,6-Dichloro-3-(2,4-di-tert-butyl-6-methyl-phenyl)-1-methyl-3-phospha-bicyclo[3.1.0]hexane

View entire compound with spectra: 1 MS (GC)

(1R,3S,5S)-6,6-Dichloro-3-(2,4-di-tert-butyl-6-methyl-phenyl)-1-methyl-3-phospha-bicyclo[3.1.0]hexane
SpectraBase Compound ID CNzc2yqpVjp
InChI InChI=1S/C21H31Cl2OP/c1-13-9-14(18(2,3)4)10-15(19(5,6)7)17(13)25(24)11-16-20(8,12-25)21(16,22)23/h9-10,16H,11-12H2,1-8H3/t16-,20+,25+/m1/s1
InChIKey QSTXVDQWZMRYPV-BXEPQMNJSA-N
Mol Weight 401.36 g/mol
Molecular Formula C21H31Cl2OP
Exact Mass 400.148958 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dd8deJOPevI
Name (1R,3S,5S)-6,6-Dichloro-3-(2,4-di-tert-butyl-6-methyl-phenyl)-1-methyl-3-phospha-bicyclo[3.1.0]hexane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31Cl2OP
InChI InChI=1S/C21H31Cl2OP/c1-13-9-14(18(2,3)4)10-15(19(5,6)7)17(13)25(24)11-16-20(8,12-25)21(16,22)23/h9-10,16H,11-12H2,1-8H3/t16-,20+,25+/m1/s1
InChIKey QSTXVDQWZMRYPV-BXEPQMNJSA-N
Molecular Weight 401.358 g/mol
SMILES [C@]12(C[P@@](=O)(c3c(cc(C(C)(C)C)cc3C)C(C)(C)C)C[C@]1(C)C2(Cl)Cl)[H]
SPLASH splash10-014i-0029100000-51129dd0b905910e6e11
Source of Spectrum HAC-12-532-2(1)a
Synonyms (1R,3S,5S)-6,6-dichloro-3-(2,4-di-tert-butyl-6-methylphenyl)-1-methyl-3-phosphabicyclo[3.1.0]hexane 3-oxide
Wiley ID 1783392