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N-Diphenylphosphinylmethyl-N-(4-methoxyphenyl)methyl-5-bromo-1,3-benzodioxole-4-carboxamide
SpectraBase Compound ID AaY0mLNBq3F
InChI InChI=1S/C29H25BrNO5P/c1-34-22-14-12-21(13-15-22)18-31(29(32)27-25(30)16-17-26-28(27)36-20-35-26)19-37(33,23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-17H,18-20H2,1H3
InChIKey PWWRSIJBIOPHMD-UHFFFAOYSA-N
Mol Weight 578.4 g/mol
Molecular Formula C29H25BrNO5P
Exact Mass 577.065373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1BDGHD2My
Name N-Diphenylphosphinylmethyl-N-(4-methoxyphenyl)methyl-5-bromo-1,3-benzodioxole-4-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H25BrNO5P
InChI InChI=1S/C29H25BrNO5P/c1-34-22-14-12-21(13-15-22)18-31(29(32)27-25(30)16-17-26-28(27)36-20-35-26)19-37(33,23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-17H,18-20H2,1H3
InChIKey PWWRSIJBIOPHMD-UHFFFAOYSA-N
Molecular Weight 578.399 g/mol
SMILES c1(C(N(CP(=O)(c2ccccc2)c2ccccc2)Cc2ccc(cc2)OC)=O)c2c(OCO2)ccc1Br
SPLASH splash10-004i-0090000000-1f525393d31a3838040f
Source of Spectrum F-53-10323-7
Synonyms 5-Bromo-N-[(diphenylphosphoryl)methyl]-N-(4-methoxybenzyl)-1,3-benzodioxole-4-carboxamide
Wiley ID 802967