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Methyl 2-[(3-pyridinylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

View entire compound with spectra: 2 NMR

Methyl 2-[(3-pyridinylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 775G5gvgffN
InChI InChI=1S/C16H16N2O3S/c1-21-16(20)13-11-6-2-3-7-12(11)22-15(13)18-14(19)10-5-4-8-17-9-10/h4-5,8-9H,2-3,6-7H2,1H3,(H,18,19)
InChIKey YZEOWFRHFAPCKP-UHFFFAOYSA-N
Mol Weight 316.38 g/mol
Molecular Formula C16H16N2O3S
Exact Mass 316.088164 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A1Ty7hHNWWj
Name Methyl 2-[(3-pyridinylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Comments Computed using HOSE algorithm
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Exact Mass 316.088163554 u
Formula C16H16N2O3S
InChI InChI=1S/C16H16N2O3S/c1-21-16(20)13-11-6-2-3-7-12(11)22-15(13)18-14(19)10-5-4-8-17-9-10/h4-5,8-9H,2-3,6-7H2,1H3,(H,18,19)
InChIKey YZEOWFRHFAPCKP-UHFFFAOYSA-N
SMILES N(C1=C(C=2CCCCC2S1)C(=O)OC)C(C=1C=NC=CC1)=O