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4-(tert-butyl)-1H-benzo[b][1,4]diazepin-2(3H)-one
SpectraBase Compound ID GKtMPZg9paa
InChI InChI=1S/C13H16N2O/c1-13(2,3)11-8-12(16)15-10-7-5-4-6-9(10)14-11/h4-7H,8H2,1-3H3,(H,15,16)
InChIKey YEBIXUDJDBVVHC-UHFFFAOYSA-N
Mol Weight 216.28 g/mol
Molecular Formula C13H16N2O
Exact Mass 216.126263 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID jtkgdb9vp1
Name 2H-1,5-benzodiazepin-2-one, 4-(1,1-dimethylethyl)-1,3-dihydro-
Comments Removed - expert review: contamination (CDCl3); A corrected record has been addded having SpectrumID: 1821355
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16N2O
InChI InChI=1S/C13H16N2O/c1-13(2,3)11-8-12(16)15-10-7-5-4-6-9(10)14-11/h4-7H,8H2,1-3H3,(H,15,16)
InChIKey YEBIXUDJDBVVHC-UHFFFAOYSA-N
Molecular Weight 216.284 g/mol
SMILES N1C(CC(=Nc2c1cccc2)C(C)(C)C)=O
SPLASH splash10-05gi-4920000000-1f96e7360caf02fdea58
Source of Spectrum JX-2015-0-276
Synonyms 4-(tert-butyl)-1H-benzo[b][1,4]diazepin-2(3H)-one 4-Tert-butyl-1,3-dihydro-2H-1,5-benzodiazepin-2-one
Wiley ID 1720236