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3-Chloro-benzo[b]thiophene-2-carboxylic acid [2-(4-methoxy-phenoxy)-ethyl]-amide
SpectraBase Compound ID JNMwlP5BZNC
InChI InChI=1S/C18H16ClNO3S/c1-22-12-6-8-13(9-7-12)23-11-10-20-18(21)17-16(19)14-4-2-3-5-15(14)24-17/h2-9H,10-11H2,1H3,(H,20,21)
InChIKey VHNNPIRTAUFEID-UHFFFAOYSA-N
Mol Weight 361.84 g/mol
Molecular Formula C18H16ClNO3S
Exact Mass 361.053942 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GQhu8N7EpZO
Name 3-Chloro-benzo[B]thiophene-2-carboxylic acid [2-(4-methoxy-phenoxy)-ethyl]-amide
Comments Computed using HOSE algorithm
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Exact Mass 361.053942250 u
Formula C18H16ClNO3S
InChI InChI=1S/C18H16ClNO3S/c1-22-12-6-8-13(9-7-12)23-11-10-20-18(21)17-16(19)14-4-2-3-5-15(14)24-17/h2-9H,10-11H2,1H3,(H,20,21)
InChIKey VHNNPIRTAUFEID-UHFFFAOYSA-N
Molecular Weight 361.843 g/mol
SMILES C=1(SC=2C=CC=CC2C1Cl)C(=O)NCCOC=1C=CC(OC)=CC1