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5-Methyl-1,3,5a,6,7,8,9,9a-octahydro-2H-benzo[e][1,2,4]triazepin-2-one
SpectraBase Compound ID 4gUapdvzN96
InChI InChI=1S/C9H15N3O/c1-6-7-4-2-3-5-8(7)10-9(13)12-11-6/h7-8H,2-5H2,1H3,(H2,10,12,13)
InChIKey HUUYPUWIUFDRRW-UHFFFAOYSA-N
Mol Weight 181.24 g/mol
Molecular Formula C9H15N3O
Exact Mass 181.121512 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1UHY8N3LUG
Name 5-Methyl-1,3,5a,6,7,8,9,9a-octahydro-2H-benzo[e][1,2,4]triazepin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H15N3O
InChI InChI=1S/C9H15N3O/c1-6-7-4-2-3-5-8(7)10-9(13)12-11-6/h7-8H,2-5H2,1H3,(H2,10,12,13)
InChIKey HUUYPUWIUFDRRW-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.tet.2016.03.082
Molecular Weight 181.239 g/mol
SMILES N1C(NC2C(C(=N1)C)CCCC2)=O
SPLASH splash10-05mt-9100000000-3c8870abaa6df4d9b9e7
Source of Spectrum F-72-2572-15c
Wiley ID 1805979