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2-[(2-Fluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

View entire compound with spectra: 2 NMR

2-[(2-Fluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
SpectraBase Compound ID IlJ2gpqb0J9
InChI InChI=1S/C16H14FNO3S/c17-11-7-3-1-5-9(11)14(19)18-15-13(16(20)21)10-6-2-4-8-12(10)22-15/h1,3,5,7H,2,4,6,8H2,(H,18,19)(H,20,21)
InChIKey BEBKZRVTISOKIU-UHFFFAOYSA-N
Mol Weight 319.35 g/mol
Molecular Formula C16H14FNO3S
Exact Mass 319.067843 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5ssODgfYYm4
Name 2-[(2-Fluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
Comments Computed using HOSE algorithm
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Exact Mass 319.067842649 u
Formula C16H14FNO3S
InChI InChI=1S/C16H14FNO3S/c17-11-7-3-1-5-9(11)14(19)18-15-13(16(20)21)10-6-2-4-8-12(10)22-15/h1,3,5,7H,2,4,6,8H2,(H,18,19)(H,20,21)
InChIKey BEBKZRVTISOKIU-UHFFFAOYSA-N
Molecular Weight 319.350 g/mol
SMILES OC(C1=C(SC=2CCCCC12)NC(C=1C(F)=CC=CC1)=O)=O