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2-[(4-Chlorophenyl)-7-(4-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]phenylmethanone
SpectraBase Compound ID DCCAQKqeoNx
InChI InChI=1S/C26H21ClN4O2/c1-16-22(24(32)18-6-4-3-5-7-18)23(17-10-14-21(33-2)15-11-17)31-26(28-16)29-25(30-31)19-8-12-20(27)13-9-19/h3-15,23H,1-2H3,(H,28,29,30)
InChIKey HZXBPKOOWIRSPM-UHFFFAOYSA-N
Mol Weight 456.93 g/mol
Molecular Formula C26H21ClN4O2
Exact Mass 456.135304 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CfuBHM9wlXw
Name 2-[(4-Chlorophenyl)-7-(4-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]phenylmethanone
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H21ClN4O2
InChI InChI=1S/C26H21ClN4O2/c1-16-22(24(32)18-6-4-3-5-7-18)23(17-10-14-21(33-2)15-11-17)31-26(28-16)29-25(30-31)19-8-12-20(27)13-9-19/h3-15,23H,1-2H3,(H,28,29,30)
InChIKey HZXBPKOOWIRSPM-UHFFFAOYSA-N
Instrument Name Schimadzu GC/MS-QP5050A
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3184
Molecular Weight 456.933 g/mol
SMILES N1c2[n](C(C(=C1C)C(=O)c1ccccc1)c1ccc(cc1)OC)nc(n2)-c1ccc(cc1)Cl
SPLASH splash10-0a4i-9000000000-f783c7e515b0f1fdedfd
Source of Spectrum Y-55-1470-39
Wiley ID 1879171