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N(6),N(6)-Dibenzoyl-9-(2-bromo-2-propen-1-yl)adenine
SpectraBase Compound ID 3C9rads02VA
InChI InChI=1S/C22H16BrN5O2/c1-15(23)12-27-14-26-18-19(27)24-13-25-20(18)28(21(29)16-8-4-2-5-9-16)22(30)17-10-6-3-7-11-17/h2-11,13-14H,1,12H2
InChIKey LAUYWIVKDMWBOQ-UHFFFAOYSA-N
Mol Weight 462.31 g/mol
Molecular Formula C22H16BrN5O2
Exact Mass 461.048738 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 68xcWkg2cTo
Name N(6),N(6)-Dibenzoyl-9-(2-bromo-2-propen-1-yl)adenine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H16BrN5O2
InChI InChI=1S/C22H16BrN5O2/c1-15(23)12-27-14-26-18-19(27)24-13-25-20(18)28(21(29)16-8-4-2-5-9-16)22(30)17-10-6-3-7-11-17/h2-11,13-14H,1,12H2
InChIKey LAUYWIVKDMWBOQ-UHFFFAOYSA-N
Molecular Weight 462.307 g/mol
SMILES c1(N(C(=O)c2ccccc2)C(=O)c2ccccc2)c2c([n](CC(=C)Br)cn2)ncn1
SPLASH splash10-0ufr-4906300000-cfeaad305256b8745de9
Source of Spectrum F2-41-16-23
Synonyms N-benzoyl-N-[9-(2-bromo-2-propenyl)-9H-purin-6-yl]benzamide N-benzoyl-N-[9-(2-bromoprop-2-enyl)-6-purinyl]benzamide N-benzoyl-N-[9-(2-bromoprop-2-enyl)purin-6-yl]benzamide N-[9-(2-bromanylprop-2-enyl)purin-6-yl]-N-(phenylcarbonyl)benzamide
Wiley ID 1599482