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1-(benzotriazol-1-ylmethyl)azepan-2-one

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1-(benzotriazol-1-ylmethyl)azepan-2-one
SpectraBase Compound ID GyhxuY2AEY3
InChI InChI=1S/C13H16N4O/c18-13-8-2-1-5-9-16(13)10-17-12-7-4-3-6-11(12)14-15-17/h3-4,6-7H,1-2,5,8-10H2
InChIKey VCCGOEHRVFGZIR-UHFFFAOYSA-N
Mol Weight 244.3 g/mol
Molecular Formula C13H16N4O
Exact Mass 244.132411 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7Ed9EZyHB69
Name 1-(benzotriazol-1-ylmethyl)azepan-2-one
Compound Number 5C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H16N4O
InChI InChI=1S/C13H16N4O/c18-13-8-2-1-5-9-16(13)10-17-12-7-4-3-6-11(12)14-15-17/h3-4,6-7H,1-2,5,8-10H2
InChIKey VCCGOEHRVFGZIR-UHFFFAOYSA-N
Literature Reference Author A.R.KATRITZKY,G.YAO,X.LAN,X.ZHAO
Literature Reference Citation J.ORG.CHEM.,58,2086(1993)
Literature Reference DOI 10.1021/jo00060a025
Molecular Weight 244.296 g/mol
Solvent CDCl3
Source File Reference UWCS22538