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2-thiophenecarboxylic acid, 3-[[(hexahydro-1H-azepin-1-yl)carbonothioyl]amino]-, methyl ester
SpectraBase Compound ID Kz2Wu3puyYK
InChI InChI=1S/C13H18N2O2S2/c1-17-12(16)11-10(6-9-19-11)14-13(18)15-7-4-2-3-5-8-15/h6,9H,2-5,7-8H2,1H3,(H,14,18)
InChIKey MOEGMKZJWUZVBR-UHFFFAOYSA-N
Mol Weight 298.42 g/mol
Molecular Formula C13H18N2O2S2
Exact Mass 298.08097 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8euurK0eSxi
Name 2-thiophenecarboxylic acid, 3-[[(hexahydro-1H-azepin-1-yl)carbonothioyl]amino]-, methyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.080970174 u
Formula C13H18N2O2S2
InChI InChI=1S/C13H18N2O2S2/c1-17-12(16)11-10(6-9-19-11)14-13(18)15-7-4-2-3-5-8-15/h6,9H,2-5,7-8H2,1H3,(H,14,18)
InChIKey MOEGMKZJWUZVBR-UHFFFAOYSA-N
Molecular Weight 298.419 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_1358
Solvent DMSO-d6
Source Vendor ID: NMR/13248552