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Phosphoric acid, 4-(1,1-dimethylethyl)-2-(phenylthio)-1-cyclohexen-1-yl diphenyl ester
SpectraBase Compound ID 5J5IFyq8IBn
InChI InChI=1S/C28H31O4PS/c1-28(2,3)22-19-20-26(27(21-22)34-25-17-11-6-12-18-25)32-33(29,30-23-13-7-4-8-14-23)31-24-15-9-5-10-16-24/h4-18,22H,19-21H2,1-3H3
InChIKey XHZBMOFCQISBJH-UHFFFAOYSA-N
Mol Weight 494.59 g/mol
Molecular Formula C28H31O4PS
Exact Mass 494.168068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HNzbeDZRFR7
Name Phosphoric acid, 4-(1,1-dimethylethyl)-2-(phenylthio)-1-cyclohexen-1-yl diphenyl ester
CAS Registry Number 78839-97-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H31O4PS
InChI InChI=1S/C28H31O4PS/c1-28(2,3)22-19-20-26(27(21-22)34-25-17-11-6-12-18-25)32-33(29,30-23-13-7-4-8-14-23)31-24-15-9-5-10-16-24/h4-18,22H,19-21H2,1-3H3
InChIKey XHZBMOFCQISBJH-UHFFFAOYSA-N
Molecular Weight 494.586 g/mol
SMILES C1(OP(Oc2ccccc2)(Oc2ccccc2)=O)=C(Sc2ccccc2)CC(CC1)C(C)(C)C
SPLASH splash10-06to-3723900000-0e04bea2bc34a511bff0
Source of Spectrum AJ-57-113-4
Synonyms 4-t-butyl-2-phenylthio-1-cyclohexenyl diphenyl phosphate 4-tert-Butyl-2-(phenylsulfanyl)-1-cyclohexen-1-yl diphenyl phosphate
Wiley ID 1397936