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(2S)-2-[(5-Acetyl-3-nitro-2-thienyl)amino]-3-phenylpropionic acid
SpectraBase Compound ID 5gO8jlF7R8Y
InChI InChI=1S/C15H14N2O5S/c1-9(18)13-8-12(17(21)22)14(23-13)16-11(15(19)20)7-10-5-3-2-4-6-10/h2-6,8,11,16H,7H2,1H3,(H,19,20)/t11-/m0/s1
InChIKey KSFBVYKBAIYDDA-NSHDSACASA-N
Mol Weight 334.35 g/mol
Molecular Formula C15H14N2O5S
Exact Mass 334.062343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9UZLlba8zpC
Name (2S)-2-[(5-Acetyl-3-nitro-2-thienyl)amino]-3-phenylpropionic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H14N2O5S
InChI InChI=1S/C15H14N2O5S/c1-9(18)13-8-12(17(21)22)14(23-13)16-11(15(19)20)7-10-5-3-2-4-6-10/h2-6,8,11,16H,7H2,1H3,(H,19,20)/t11-/m0/s1
InChIKey KSFBVYKBAIYDDA-NSHDSACASA-N
Molecular Weight 334.346 g/mol
SMILES N(c1c(cc(C(=O)C)s1)N(=O)=O)[C@](C(=O)O)(Cc1ccccc1)[H]
SPLASH splash10-000f-0092000000-0f3db788d6c734197ca5
Source of Spectrum O1-57-103-8
Synonyms (2S)-2-[(5-acetyl-3-nitro-2-thienyl)amino]-3-phenylpropanoic acid
Wiley ID 1591422