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N-(9'-Methyl-1'-oxo-1',2',3',4'-tetrahydro-10'-phenanthrenyl)-thiocarbamic acid, S-methyl ester
SpectraBase Compound ID 36qbBBu8NRq
InChI InChI=1S/C17H17NO2S/c1-10-11-6-3-4-7-12(11)13-8-5-9-14(19)15(13)16(10)18-17(20)21-2/h3-4,6-7H,5,8-9H2,1-2H3,(H,18,20)
InChIKey DCKNKWRHJGYLNL-UHFFFAOYSA-N
Mol Weight 299.39 g/mol
Molecular Formula C17H17NO2S
Exact Mass 299.098 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BSI6T1w53Lu
Name N-(9'-Methyl-1'-oxo-1',2',3',4'-tetrahydro-10'-phenanthrenyl)-thiocarbamic acid, S-methyl ester
CAS Registry Number 72473-74-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H17NO2S
InChI InChI=1S/C17H17NO2S/c1-10-11-6-3-4-7-12(11)13-8-5-9-14(19)15(13)16(10)18-17(20)21-2/h3-4,6-7H,5,8-9H2,1-2H3,(H,18,20)
InChIKey DCKNKWRHJGYLNL-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference K. Falkenstein, C. Wolff, W. Tochtermann, Liebigs Ann. Chem. 1483 (1979).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6