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3-(brosylamino)-3-(3-nitrophenyl)propionic acid
SpectraBase Compound ID FtTxNgrafNT
InChI InChI=1S/C15H13BrN2O6S/c16-11-4-6-13(7-5-11)25(23,24)17-14(9-15(19)20)10-2-1-3-12(8-10)18(21)22/h1-8,14,17H,9H2,(H,19,20)
InChIKey ZWSJAXIHVNMQHR-UHFFFAOYSA-N
Mol Weight 429.24 g/mol
Molecular Formula C15H13BrN2O6S
Exact Mass 427.96777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID zDlXL77zdm
Name 3-(brosylamino)-3-(3-nitrophenyl)propionic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H13BrN2O6S
InChI InChI=1S/C15H13BrN2O6S/c16-11-4-6-13(7-5-11)25(23,24)17-14(9-15(19)20)10-2-1-3-12(8-10)18(21)22/h1-8,14,17H,9H2,(H,19,20)
InChIKey ZWSJAXIHVNMQHR-UHFFFAOYSA-N
Molecular Weight 429.241 g/mol
SMILES N(S(c1ccc(cc1)Br)(=O)=O)C(CC(=O)O)c1cc(N(=O)=O)ccc1
SPLASH splash10-0a6r-9850000000-3017c4e6bca495ea0e98
Synonyms 3-[(4-bromophenyl)sulfonylamino]-3-(3-nitrophenyl)propanoic acid
Wiley ID 1443694