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3-Adamantyl-5-methyl-1,2,4-triazolo[1,5-a]pyrimidin-7-one
SpectraBase Compound ID C4j1CGgubpg
InChI InChI=1S/C16H20N4O/c1-9-2-14(21)20-16(18-9)19(8-17-20)15-12-4-10-3-11(6-12)7-13(15)5-10/h2,8,10-13,15H,3-7H2,1H3/t10-,11+,12-,13+,15-
InChIKey OYMWPXWBNQAICD-XCYDRWPUSA-N
Mol Weight 284.36 g/mol
Molecular Formula C16H20N4O
Exact Mass 284.163711 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3EZhHAUPwol
Name 3-Adamantyl-5-methyl-1,2,4-triazolo[1,5-a]pyrimidin-7-one
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20N4O
InChI InChI=1S/C16H20N4O/c1-9-2-14(21)20-16(18-9)19(8-17-20)15-12-4-10-3-11(6-12)7-13(15)5-10/h2,8,10-13,15H,3-7H2,1H3/t10-,11+,12-,13+,15-
InChIKey OYMWPXWBNQAICD-XCYDRWPUSA-N
Instrument Name Shimadzu GCMS-QP 2010 Ultra
Ionization Type EI
Literature Reference DOI 10.1002/asia.202201306
Quality 268
Reported Formula C16H20N4O
SMILES [C@]12(C[C@@]3(C[C@](C2)(C([C@](C1)(C3)[H])N1C=NN2C1=NC(=CC2=O)C)[H])[H])[H]
SPLASH splash10-000i-7910000000-e66ff8dbf462fbb6ca32
Source of Spectrum CAJ-18-SM8-13d (DOI: 10.1002/asia.202201306)
Wiley ID 1901165