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4'-Acetyl-2'-phenyl-4a',5',6',7',8',8a'-hexahydro-4'H-spiro-[cyclohexane-1,9'-[1,2,4]triazolo[5,1-b]quinazoline]
SpectraBase Compound ID D5LpUlP73Jv
InChI InChI=1S/C22H28N4O/c1-16(27)25-19-13-7-6-12-18(19)22(14-8-3-9-15-22)26-21(25)23-20(24-26)17-10-4-2-5-11-17/h2,4-5,10-11,18-19H,3,6-9,12-15H2,1H3
InChIKey KQFYBVNQNGKHKE-UHFFFAOYSA-N
Mol Weight 364.49 g/mol
Molecular Formula C22H28N4O
Exact Mass 364.226312 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2baBWk0UT92
Name 4'-Acetyl-2'-phenyl-4a',5',6',7',8',8a'-hexahydro-4'H-spiro-[cyclohexane-1,9'-[1,2,4]triazolo[5,1-b]quinazoline]
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Formula C22H28N4O
InChI InChI=1S/C22H28N4O/c1-16(27)25-19-13-7-6-12-18(19)22(14-8-3-9-15-22)26-21(25)23-20(24-26)17-10-4-2-5-11-17/h2,4-5,10-11,18-19H,3,6-9,12-15H2,1H3
InChIKey KQFYBVNQNGKHKE-UHFFFAOYSA-N
Molecular Weight 364.493 g/mol
SMILES c12[n](nc(n2)-c2ccccc2)C2(CCCCC2)C2C(N1C(=O)C)CCCC2
SPLASH splash10-0006-9000000000-b3e1011c90919299d4dd
Source of Spectrum Y-45-1425-11a
Wiley ID 1666427