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2-Methyl-4-adamantyl-6-phenyl-1,2,4-triazolo[1,5-a]pyrimidin-7-one
SpectraBase Compound ID Ep7mKWEzdOD
InChI InChI=1S/C22H24N4O/c1-13-23-22-25(20-17-8-14-7-15(10-17)11-18(20)9-14)12-19(21(27)26(22)24-13)16-5-3-2-4-6-16/h2-6,12,14-15,17-18,20H,7-11H2,1H3/t14-,15+,17-,18+,20?
InChIKey WSWYGZPPUQPFDF-LDCQZMTGSA-N
Mol Weight 360.46 g/mol
Molecular Formula C22H24N4O
Exact Mass 360.195011 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IdDtbg7ZmHg
Name 2-Methyl-4-adamantyl-6-phenyl-1,2,4-triazolo[1,5-a]pyrimidin-7-one
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.195011408 u
Formula C22H24N4O
InChI InChI=1S/C22H24N4O/c1-13-23-22-25(20-17-8-14-7-15(10-17)11-18(20)9-14)12-19(21(27)26(22)24-13)16-5-3-2-4-6-16/h2-6,12,14-15,17-18,20H,7-11H2,1H3/t14-,15+,17-,18+,20?
InChIKey WSWYGZPPUQPFDF-LDCQZMTGSA-N
Instrument Name Shimadzu GCMS-QP 2010 Ultra
Ionization Type EI
Literature Reference DOI 10.1002/asia.202201306
Molecular Weight 360.461 g/mol
Quality 273
Reported Formula C22H24N4O
SMILES C=1(N=C2N(N1)C(C(=CN2C1[C@]2(C[C@@]3(C[C@](C2)(C[C@]1(C3)[H])[H])[H])[H])C1=CC=CC=C1)=O)C
SPLASH splash10-000i-6901000000-b0e6d3bcf129614d692a
Source of Spectrum CAJ-18-SM10-14g (DOI: 10.1002/asia.202201306)
Wiley ID 1901171