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2-(Morpholin-4-ylcarbothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-(Morpholin-4-ylcarbothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
SpectraBase Compound ID ArFfzJeiWpE
InChI InChI=1S/C14H18N2O3S2/c17-13(18)11-9-3-1-2-4-10(9)21-12(11)15-14(20)16-5-7-19-8-6-16/h1-8H2,(H,15,20)(H,17,18)
InChIKey QSLQSQZYSXBNDQ-UHFFFAOYSA-N
Mol Weight 326.43 g/mol
Molecular Formula C14H18N2O3S2
Exact Mass 326.075885 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G2TvyoMuGi7
Name 2-(Morpholin-4-ylcarbothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
Comments Computed using HOSE algorithm
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Exact Mass 326.075884793 u
Formula C14H18N2O3S2
InChI InChI=1S/C14H18N2O3S2/c17-13(18)11-9-3-1-2-4-10(9)21-12(11)15-14(20)16-5-7-19-8-6-16/h1-8H2,(H,15,20)(H,17,18)
InChIKey QSLQSQZYSXBNDQ-UHFFFAOYSA-N
Molecular Weight 326.429 g/mol
SMILES C1(=C(C=2CCCCC2S1)C(=O)O)NC(N1CCOCC1)=S