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4-Phenyl-2,4,6-triazatricyclo[5.4.2.0(2,6)]tridec-12-ene-3,5-dione
SpectraBase Compound ID H46e2zEx1HU
InChI InChI=1S/C16H17N3O2/c20-15-17(12-6-2-1-3-7-12)16(21)19-14-9-5-4-8-13(10-11-14)18(15)19/h1-3,6-7,10-11,13-14H,4-5,8-9H2/t13-,14+
InChIKey MSPRVEZHLOYLHB-OKILXGFUSA-N
Mol Weight 283.33 g/mol
Molecular Formula C16H17N3O2
Exact Mass 283.132077 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2MafN4Em8W
Name 4-Phenyl-2,4,6-triazatricyclo[5.4.2.0(2,6)]tridec-12-ene-3,5-dione
CAS Registry Number 10316-54-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17N3O2
InChI InChI=1S/C16H17N3O2/c20-15-17(12-6-2-1-3-7-12)16(21)19-14-9-5-4-8-13(10-11-14)18(15)19/h1-3,6-7,10-11,13-14H,4-5,8-9H2/t13-,14+
InChIKey MSPRVEZHLOYLHB-OKILXGFUSA-N
Molecular Weight 283.331 g/mol
SMILES c1ccc(N2C(N3N([C@@]4(C=C[C@]3(CCCC4)[H])[H])C2=O)=O)cc1
SPLASH splash10-003u-9310000000-988c530b79b5c6646b69
Source of Spectrum AD-0-2532-0
Wiley ID 1430810