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methyl 2-[(2-thienylcarbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

View entire compound with spectra: 2 NMR

methyl 2-[(2-thienylcarbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID JCfxYL0892k
InChI InChI=1S/C16H17NO3S2/c1-20-16(19)13-10-6-3-2-4-7-11(10)22-15(13)17-14(18)12-8-5-9-21-12/h5,8-9H,2-4,6-7H2,1H3,(H,17,18)
InChIKey YREVSARCCBNWOH-UHFFFAOYSA-N
Mol Weight 335.44 g/mol
Molecular Formula C16H17NO3S2
Exact Mass 335.064986 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HxFymxt5O3M
Name Methyl 2-[(2-thienylcarbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[B]thiophene-3-carboxylate
Comments Computed using HOSE algorithm
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Exact Mass 335.064985756 u
Formula C16H17NO3S2
InChI InChI=1S/C16H17NO3S2/c1-20-16(19)13-10-6-3-2-4-7-11(10)22-15(13)17-14(18)12-8-5-9-21-12/h5,8-9H,2-4,6-7H2,1H3,(H,17,18)
InChIKey YREVSARCCBNWOH-UHFFFAOYSA-N
Molecular Weight 335.436 g/mol
SMILES N(C1=C(C2=C(CCCCC2)S1)C(=O)OC)C(C=1SC=CC1)=O