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2,3,4,5-TETRAHYDRO-5-METHYLSULFONYL-4-(4-METHOXYPHENYL)-1H-1,5-BENZODIAZEPIN-2-ONE

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2,3,4,5-TETRAHYDRO-5-METHYLSULFONYL-4-(4-METHOXYPHENYL)-1H-1,5-BENZODIAZEPIN-2-ONE
SpectraBase Compound ID 1bRDICMyD6t
InChI InChI=1S/C17H18N2O4S/c1-23-13-9-7-12(8-10-13)16-11-17(20)18-14-5-3-4-6-15(14)19(16)24(2,21)22/h3-10,16H,11H2,1-2H3,(H,18,20)
InChIKey RAKDNUKILGYFID-UHFFFAOYSA-N
Mol Weight 346.4 g/mol
Molecular Formula C17H18N2O4S
Exact Mass 346.098728 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1fLePVDgqo8
Name 2,3,4,5-TETRAHYDRO-5-METHYLSULFONYL-4-(4-METHOXYPHENYL)-1H-1,5-BENZODIAZEPIN-2-ONE
Compound Number 3E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H18N2O4S
InChI InChI=1S/C17H18N2O4S/c1-23-13-9-7-12(8-10-13)16-11-17(20)18-14-5-3-4-6-15(14)19(16)24(2,21)22/h3-10,16H,11H2,1-2H3,(H,18,20)
InChIKey RAKDNUKILGYFID-UHFFFAOYSA-N
Literature Reference Author M.J.MPHAHLELE
Literature Reference Citation J.CHEM.SOC.PERKIN-1,3477(1999)
Literature Reference DOI 10.1039/a906449d
Molecular Weight 346.401 g/mol
Solvent CDCl3