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9-(4-Methyl-benzoyl)-1,2,3,4,5,8-hexahydro-7H-pyrrolo(1,2-A)-1,3-diazepin-7-one

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9-(4-Methyl-benzoyl)-1,2,3,4,5,8-hexahydro-7H-pyrrolo(1,2-A)-1,3-diazepin-7-one
SpectraBase Compound ID 903nlCnbC74
InChI InChI=1S/C16H18N2O2/c1-11-4-6-12(7-5-11)15(20)13-10-14(19)18-9-3-2-8-17-16(13)18/h4-7,17H,2-3,8-10H2,1H3
InChIKey HUKXJWOFILBABD-UHFFFAOYSA-N
Mol Weight 270.33 g/mol
Molecular Formula C16H18N2O2
Exact Mass 270.136828 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IngHfsBquHO
Name 9-(4-Methyl-benzoyl)-1,2,3,4,5,8-hexahydro-7H-pyrrolo(1,2-A)-1,3-diazepin-7-one
CAS Registry Number 115859-84-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H18N2O2
InChI InChI=1S/C16H18N2O2/c1-11-4-6-12(7-5-11)15(20)13-10-14(19)18-9-3-2-8-17-16(13)18/h4-7,17H,2-3,8-10H2,1H3
InChIKey HUKXJWOFILBABD-UHFFFAOYSA-N
Instrument Name Jeol FX-100
Literature Reference Z. Huang, Z. Liu, Chem. Ber. 112, 95 (1989).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3