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(2-HEXAHYDRO-1H-1,3-DIAZEPINYLIDENE)-(4-METHOXYPHENYL)-ACETONITRILE

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(2-HEXAHYDRO-1H-1,3-DIAZEPINYLIDENE)-(4-METHOXYPHENYL)-ACETONITRILE
SpectraBase Compound ID 5ZBZOJ71dcJ
InChI InChI=1S/C14H17N3O/c1-18-12-6-4-11(5-7-12)13(10-15)14-16-8-2-3-9-17-14/h4-7,16-17H,2-3,8-9H2,1H3
InChIKey RLSHFUJZELRNCB-UHFFFAOYSA-N
Mol Weight 243.31 g/mol
Molecular Formula C14H17N3O
Exact Mass 243.137162 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lh5Wd7kPh6F
Name 2-(A-Cyano-4-methoxy-benzylidene)-hexahydro-1,3-diazepine
Comments C11 AT 146.40 IS CHANGED TO 156.40 PPM (A.H.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H17N3O
InChI InChI=1S/C14H17N3O/c1-18-12-6-4-11(5-7-12)13(10-15)14-16-8-2-3-9-17-14/h4-7,16-17H,2-3,8-9H2,1H3
InChIKey RLSHFUJZELRNCB-UHFFFAOYSA-N
Instrument Name Jeol FX-100
Literature Reference Z.T. Huang, W.X. Gan, X.J.Wang, J. Prakt. Chem. 330, 724 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6