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2-n-Propyl-4-methyl-1,2,3,4-tetrahydro-1,3,4-benzotriazepin-5H-one

View entire compound with spectra: 1 MS (GC)

2-n-Propyl-4-methyl-1,2,3,4-tetrahydro-1,3,4-benzotriazepin-5H-one
SpectraBase Compound ID Hl4hOPBZWiM
InChI InChI=1S/C12H17N3O/c1-3-6-11-13-10-8-5-4-7-9(10)12(16)15(2)14-11/h4-5,7-8,11,13-14H,3,6H2,1-2H3
InChIKey MAHJGAIXYHRNBC-UHFFFAOYSA-N
Mol Weight 219.29 g/mol
Molecular Formula C12H17N3O
Exact Mass 219.137162 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9rI2r5QbfVS
Name 2-n-Propyl-4-methyl-1,2,3,4-tetrahydro-1,3,4-benzotriazepin-5H-one
Alternate Name(s) 2-n-Propyl-1,2,3,4-tetrahydro-1,3,4-benzotriazepin-5H-one 4-Methyl-2-propyl-1,2,3,4-tetrahydro-5H-1,3,4-benzotriazepin-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17N3O
InChI InChI=1S/C12H17N3O/c1-3-6-11-13-10-8-5-4-7-9(10)12(16)15(2)14-11/h4-5,7-8,11,13-14H,3,6H2,1-2H3
InChIKey MAHJGAIXYHRNBC-UHFFFAOYSA-N
Molecular Weight 219.288 g/mol
SMILES N1C(CCC)Nc2c(C(N1C)=O)cccc2
SPLASH splash10-00di-0910000000-2740c4dc84fbb70cc8b9
Source of Spectrum Y1-33-324-2
Wiley ID 1526212