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Phosphorin, 2-(2-butenyl)-1,2-dihydro-1-methyl-2,4,6-triphenyl-, 1-oxide, trans-
SpectraBase Compound ID Bbwd7EKj5w8
InChI InChI=1S/C28H27OP/c1-3-4-20-28(26-18-12-7-13-19-26)22-25(23-14-8-5-9-15-23)21-27(30(28,2)29)24-16-10-6-11-17-24/h3-19,21-22H,20H2,1-2H3/b4-3+
InChIKey NSHWYLQABFBGRN-ONEGZZNKSA-N
Mol Weight 410.5 g/mol
Molecular Formula C28H27OP
Exact Mass 410.179952 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4MCKfJRddSz
Name Phosphorin, 2-(2-butenyl)-1,2-dihydro-1-methyl-2,4,6-triphenyl-, 1-oxide, trans-
Alternate Name(s) 2-(2-Butenyl)-1,2-dihydro-1-methyl-2,4,6-triphenylphosphorin-1-oxide 2-[(2E)-2-butenyl]-1-methyl-2,4,6-triphenyl-1,2-dihydrophosphorin 1-oxide
CAS Registry Number 78336-93-3
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H27OP
InChI InChI=1S/C28H27OP/c1-3-4-20-28(26-18-12-7-13-19-26)22-25(23-14-8-5-9-15-23)21-27(30(28,2)29)24-16-10-6-11-17-24/h3-19,21-22H,20H2,1-2H3/b4-3+
InChIKey NSHWYLQABFBGRN-ONEGZZNKSA-N
Molecular Weight 410.497 g/mol
SMILES C=1(P(C(C=C(C1)c1ccccc1)(c1ccccc1)C\C=C\C)(=O)C)c1ccccc1
SPLASH splash10-03di-0009700000-3c196d93ed5cb2cfc348
Source of Spectrum K-114-1765-0
Wiley ID 1373859