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2,4,4-Trimethyl-8-nitro-N-(2,4,4-trimethylpentan-2-yl)-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepine-2-carboxamide
SpectraBase Compound ID CuQJSA3fcmt
InChI InChI=1S/C21H34N4O3/c1-18(2,3)12-19(4,5)24-17(26)21(8)13-20(6,7)22-15-10-9-14(25(27)28)11-16(15)23-21/h9-11,22-23H,12-13H2,1-8H3,(H,24,26)
InChIKey KLLNAASYCLGKBO-UHFFFAOYSA-N
Mol Weight 390.5 g/mol
Molecular Formula C21H34N4O3
Exact Mass 390.263091 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7OlZarh6g2i
Name 2,4,4-Trimethyl-8-nitro-N-(2,4,4-trimethylpentan-2-yl)-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepine-2-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34N4O3
InChI InChI=1S/C21H34N4O3/c1-18(2,3)12-19(4,5)24-17(26)21(8)13-20(6,7)22-15-10-9-14(25(27)28)11-16(15)23-21/h9-11,22-23H,12-13H2,1-8H3,(H,24,26)
InChIKey KLLNAASYCLGKBO-UHFFFAOYSA-N
Molecular Weight 390.528 g/mol
SMILES N1C(C(=O)NC(C)(CC(C)(C)C)C)(CC(Nc2c1cc(cc2)N(=O)=O)(C)C)C
SPLASH splash10-001i-6790000000-e1e384a8d72ce687da25
Source of Spectrum F-68-7832-4h
Wiley ID 1717574