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3-Butyl-6-methyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]benzyl]-1,2,4-triazin-5-one
SpectraBase Compound ID CwCgjPcnBVc
InChI InChI=1S/C22H23N7O/c1-3-4-9-20-24-23-15(2)22(30)29(20)14-16-10-12-17(13-11-16)18-7-5-6-8-19(18)21-25-27-28-26-21/h5-8,10-13H,3-4,9,14H2,1-2H3,(H,25,26,27,28)
InChIKey SUUMESWQQHWFOM-UHFFFAOYSA-N
Mol Weight 401.47 g/mol
Molecular Formula C22H23N7O
Exact Mass 401.196408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6TzBMMTT1tK
Name 3-Butyl-6-methyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]benzyl]-1,2,4-triazin-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H23N7O
InChI InChI=1S/C22H23N7O/c1-3-4-9-20-24-23-15(2)22(30)29(20)14-16-10-12-17(13-11-16)18-7-5-6-8-19(18)21-25-27-28-26-21/h5-8,10-13H,3-4,9,14H2,1-2H3,(H,25,26,27,28)
InChIKey SUUMESWQQHWFOM-UHFFFAOYSA-N
Molecular Weight 401.474 g/mol
SMILES [nH]1c(nnn1)-c1c(-c2ccc(CN3C(C(C)=NN=C3CCCC)=O)cc2)cccc1
SPLASH splash10-0a6r-0629000000-1ecc3879dbfac8b5aadb
Source of Spectrum QA-46-58-14
Synonyms 3-Butyl-6-methyl-4-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazin-5-one 3-Butyl-6-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazin-5-one
Wiley ID 863096