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2-Amino-3-(5-bromo-1-benzothiophen-3-yl)propanoic acid

View entire compound with spectra: 1 MS (GC)

2-Amino-3-(5-bromo-1-benzothiophen-3-yl)propanoic acid
SpectraBase Compound ID F1PeR4yykeZ
InChI InChI=1S/C11H10BrNO2S/c12-7-1-2-10-8(4-7)6(5-16-10)3-9(13)11(14)15/h1-2,4-5,9H,3,13H2,(H,14,15)
InChIKey IFXNDZDCGYLPKE-UHFFFAOYSA-N
Mol Weight 300.17 g/mol
Molecular Formula C11H10BrNO2S
Exact Mass 298.961563 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1D42gIIJCO9
Name 2-Amino-3-(5-bromo-1-benzothiophen-3-yl)propanoic acid
Alternate Name(s) 2-Amino-3-(5-bromobenzothiophen-3-yl)propanoic acid 2-Amino-3-(5-bromobenzothiophen-3-yl)propionic acid 2-Azanyl-3-(5-bromanyl-1-benzothiophen-3-yl)propanoic acid
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Formula C11H10BrNO2S
InChI InChI=1S/C11H10BrNO2S/c12-7-1-2-10-8(4-7)6(5-16-10)3-9(13)11(14)15/h1-2,4-5,9H,3,13H2,(H,14,15)
InChIKey IFXNDZDCGYLPKE-UHFFFAOYSA-N
Molecular Weight 300.170 g/mol
SMILES NC(C(O)=O)Cc1c2cc(ccc2sc1)Br
SPLASH splash10-004i-9680000000-5b64e0a429994a1e7c34
Wiley ID 1450907