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(Sp)-trans-3-(tert-Butylmethylphosphinoyl)-4-(diphenylphosphinoyl)cyclohexene
SpectraBase Compound ID 5R03Fak1lgN
InChI InChI=1S/C23H30O2P2/c1-23(2,3)26(4,24)21-17-11-12-18-22(21)27(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5-11,13-17,21-22H,12,18H2,1-4H3/t21-,22-,26-/m0/s1
InChIKey APXDKWDACBXWBV-MCEYFSPLSA-N
Mol Weight 400.44 g/mol
Molecular Formula C23H30O2P2
Exact Mass 400.172104 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GYO0KEDBDxj
Name (Sp)-trans-3-(tert-Butylmethylphosphinoyl)-4-(diphenylphosphinoyl)cyclohexene
Alternate Name(s) (S)-tert-butyl((1S,6S)-6-(diphenylphosphoryl)cyclohex-2-en-1-yl)(methyl)phosphine oxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H30O2P2
InChI InChI=1S/C23H30O2P2/c1-23(2,3)26(4,24)21-17-11-12-18-22(21)27(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5-11,13-17,21-22H,12,18H2,1-4H3/t21-,22-,26-/m0/s1
InChIKey APXDKWDACBXWBV-MCEYFSPLSA-N
Literature Reference DOI 10.1021/acs.joc.5b02337
Molecular Weight 400.439 g/mol
SMILES C=1CC[C@@]([C@@]([P@](C(C)(C)C)(C)=O)(C1)[H])(P(c1ccccc1)(c1ccccc1)=O)[H]
SPLASH splash10-0fba-1934000000-9425bd92093060e4aaf9
Source of Spectrum J-81-1385-16a_minor
Wiley ID 1806807