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1-(2,4,6-Tri-tert-butyl)phenyl-3-methyl-2-(1-oxobutyl)phosphole
SpectraBase Compound ID Duij4YTGYez
InChI InChI=1S/C27H41OP/c1-12-13-22(28)23-18(2)14-15-29(23)24-20(26(6,7)8)16-19(25(3,4)5)17-21(24)27(9,10)11/h14-17H,12-13H2,1-11H3
InChIKey CEWUFFCDSFWEGQ-UHFFFAOYSA-N
Mol Weight 412.6 g/mol
Molecular Formula C27H41OP
Exact Mass 412.289503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1nSoLRzlyuL
Name 1-(2,4,6-Tri-tert-butyl)phenyl-3-methyl-2-(1-oxobutyl)phosphole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H41OP
InChI InChI=1S/C27H41OP/c1-12-13-22(28)23-18(2)14-15-29(23)24-20(26(6,7)8)16-19(25(3,4)5)17-21(24)27(9,10)11/h14-17H,12-13H2,1-11H3
InChIKey CEWUFFCDSFWEGQ-UHFFFAOYSA-N
Molecular Weight 412.598 g/mol
SMILES c1(-[p]2c(c(C)cc2)C(=O)CCC)c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C
SPLASH splash10-0btc-8009600000-6e3fb1b4a84723032fca
Source of Spectrum KC-0-2896-2
Synonyms 1-(2,4,6-Tri-tert-butylphenyl)-3-methyl-2-(1-oxobutyl)phosphole isomer 1-[3-methyl-1-(2,4,6-tritert-butylphenyl)-1H-phosphol-2-yl]-1-butanone 1-[3-methyl-1-(2,4,6-tritert-butylphenyl)-2-phospholyl]-1-butanone
Wiley ID 831621