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Ethyl 5-methyl-1-phenyl-3-(5-phenyl-4,5-dihydrotetrazolo[1,5-a]pyrimidin-7-yl)-1H-pyrazole-4-carboxylate
SpectraBase Compound ID 2bfykAgtmER
InChI InChI=1S/C23H21N7O2/c1-3-32-22(31)20-15(2)29(17-12-8-5-9-13-17)26-21(20)19-14-18(16-10-6-4-7-11-16)24-23-25-27-28-30(19)23/h4-14,18H,3H2,1-2H3,(H,24,25,28)
InChIKey HGROTRFMAVCBEL-UHFFFAOYSA-N
Mol Weight 427.47 g/mol
Molecular Formula C23H21N7O2
Exact Mass 427.175673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8nmJSTjEHdT
Name Ethyl 5-methyl-1-phenyl-3-(5-phenyl-4,5-dihydrotetrazolo[1,5-a]pyrimidin-7-yl)-1H-pyrazole-4-carboxylate
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H21N7O2
InChI InChI=1S/C23H21N7O2/c1-3-32-22(31)20-15(2)29(17-12-8-5-9-13-17)26-21(20)19-14-18(16-10-6-4-7-11-16)24-23-25-27-28-30(19)23/h4-14,18H,3H2,1-2H3,(H,24,25,28)
InChIKey HGROTRFMAVCBEL-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS Q1000-EX and HP GCMS 5988-A
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2968
Molecular Weight 427.468 g/mol
SMILES N1c2[n](C(=CC1c1ccccc1)c1c(C(OCC)=O)c([n](n1)-c1ccccc1)C)nnn2
SPLASH splash10-0ufr-6952200000-43aa8a001e688375ef0c
Source of Spectrum Y-54-3453-5d
Wiley ID 1878706