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2-METHYL-2-PHENYL-4-N-METHYL-1,2,3,4-TETRAHYDRO-5H-1,3,4-BENZOTRIAZEPIN-5-ONE;RING-FORM
SpectraBase Compound ID AkWcQxQ1YIv
InChI InChI=1S/C16H17N3O/c1-16(12-8-4-3-5-9-12)17-14-11-7-6-10-13(14)15(20)19(2)18-16/h3-11,17-18H,1-2H3
InChIKey WQAUTYMNVMPAHT-UHFFFAOYSA-N
Mol Weight 267.33 g/mol
Molecular Formula C16H17N3O
Exact Mass 267.137162 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4CFwWEpOFgr
Name 2-METHYL-2-PHENYL-4-N-METHYL-1,2,3,4-TETRAHYDRO-5H-1,3,4-BENZOTRIAZEPIN-5-ONE;RING-FORM-R3
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H17N3O
InChI InChI=1S/C16H17N3O/c1-16(12-8-4-3-5-9-12)17-14-11-7-6-10-13(14)15(20)19(2)18-16/h3-11,17-18H,1-2H3
InChIKey WQAUTYMNVMPAHT-UHFFFAOYSA-N
Literature Reference Author K.PIHLAJA,M.F.SIMEONOV,F.FUELOEP
Literature Reference Citation J.ORG.CHEM.,62,5080(1997)
Literature Reference DOI 10.1021/jo962322k
Molecular Weight 267.330 g/mol
Solvent CD2Cl2
Source File Reference UWMZ4265