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3-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-3-(4-fluorophenyl)propanoic acid
SpectraBase Compound ID 91Gfcg2hcGY
InChI InChI=1S/C18H13ClFNO3S/c19-16-12-3-1-2-4-14(12)25-17(16)18(24)21-13(9-15(22)23)10-5-7-11(20)8-6-10/h1-8,13H,9H2,(H,21,24)(H,22,23)
InChIKey MJEFZJLSMDPVDN-UHFFFAOYSA-N
Mol Weight 377.82 g/mol
Molecular Formula C18H13ClFNO3S
Exact Mass 377.02887 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 21kgiu7u6QA
Name 3-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-3-(4-fluorophenyl)propanoic acid
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Formula C18H13ClFNO3S
InChI InChI=1S/C18H13ClFNO3S/c19-16-12-3-1-2-4-14(12)25-17(16)18(24)21-13(9-15(22)23)10-5-7-11(20)8-6-10/h1-8,13H,9H2,(H,21,24)(H,22,23)
InChIKey MJEFZJLSMDPVDN-UHFFFAOYSA-N
Molecular Weight 377.817 g/mol
SMILES N(C(c1sc2ccccc2c1Cl)=O)C(CC(=O)O)c1ccc(cc1)F
SPLASH splash10-000t-3900000000-52bb7565da07c07aa91a
Synonyms 3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-3-(4-fluorophenyl)propanoic acid 3-[(3-chlorobenzothiophene-2-carbonyl)amino]-3-(4-fluorophenyl)propanoic acid 3-[(3-chlorobenzothiophene-2-carbonyl)amino]-3-(4-fluorophenyl)propionic acid 3-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-3-(4-fluorophenyl)propanoic acid
Wiley ID 1443157