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5-Methyl-2,4,5,5a,6,7,8,9-octahydro-3H-benzo[f][1,2,4]triazepine-3-thione
SpectraBase Compound ID 1uIlIegLJrN
InChI InChI=1S/C9H15N3S/c1-6-7-4-2-3-5-8(7)11-12-9(13)10-6/h6-7H,2-5H2,1H3,(H2,10,12,13)
InChIKey CCNSTUICQHYZID-UHFFFAOYSA-N
Mol Weight 197.3 g/mol
Molecular Formula C9H15N3S
Exact Mass 197.098669 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4rGYTI0rzTc
Name 5-Methyl-2,4,5,5a,6,7,8,9-octahydro-3H-benzo[f][1,2,4]triazepine-3-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H15N3S
InChI InChI=1S/C9H15N3S/c1-6-7-4-2-3-5-8(7)11-12-9(13)10-6/h6-7H,2-5H2,1H3,(H2,10,12,13)
InChIKey CCNSTUICQHYZID-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.tet.2016.03.082
Molecular Weight 197.300 g/mol
SMILES N1C(NC(C2C(=N1)CCCC2)C)=S
SPLASH splash10-0002-9500000000-d8a7989dde08c777fb9c
Source of Spectrum F-72-2571-11h
Wiley ID 1805975