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5-Acetyl-5,6,7,8-tetrahydro-7,7-dimethyl-2-phenyl-(1,2,3)-triazol[4,5-c]azepin-4-one
SpectraBase Compound ID FAkUuTTwHqH
InChI InChI=1S/C16H18N4O2/c1-11(21)19-10-16(2,3)9-13-14(15(19)22)18-20(17-13)12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3
InChIKey XRYGXJFHUXYNDF-UHFFFAOYSA-N
Mol Weight 298.35 g/mol
Molecular Formula C16H18N4O2
Exact Mass 298.142976 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CIldKEAetTZ
Name 5-Acetyl-5,6,7,8-tetrahydro-7,7-dimethyl-2-phenyl-(1,2,3)-triazol[4,5-c]azepin-4-one
Alternate Name(s) 5-Acetyl-7,7-dimethyl-2-phenyl-5,6,7,8-tetrahydro[1,2,3]triazolo[4,5-c]azepin-4(2H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18N4O2
InChI InChI=1S/C16H18N4O2/c1-11(21)19-10-16(2,3)9-13-14(15(19)22)18-20(17-13)12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3
InChIKey XRYGXJFHUXYNDF-UHFFFAOYSA-N
Molecular Weight 298.346 g/mol
SMILES c12n[n](-c3ccccc3)nc1CC(C)(C)CN(C2=O)C(=O)C
SPLASH splash10-056s-5090000000-b0ca43c9719f7901f0c4
Source of Spectrum G-55-253-0
Wiley ID 748229