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(2S)-Methyl 2-[(5-acetyl-3-nitro-2-thienyl)amino]-3-phenylpropionate
SpectraBase Compound ID 7kdZHQhb8S
InChI InChI=1S/C16H16N2O5S/c1-10(19)14-9-13(18(21)22)15(24-14)17-12(16(20)23-2)8-11-6-4-3-5-7-11/h3-7,9,12,17H,8H2,1-2H3/t12-/m0/s1
InChIKey YRRRLNKBDSTMGH-LBPRGKRZSA-N
Mol Weight 348.37 g/mol
Molecular Formula C16H16N2O5S
Exact Mass 348.077993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IAnLA4RGx7m
Name (2S)-Methyl 2-[(5-acetyl-3-nitro-2-thienyl)amino]-3-phenylpropionate
Alternate Name(s) Methyl (2S)-2-[(5-acetyl-3-nitro-2-thienyl)amino]-3-phenylpropanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16N2O5S
InChI InChI=1S/C16H16N2O5S/c1-10(19)14-9-13(18(21)22)15(24-14)17-12(16(20)23-2)8-11-6-4-3-5-7-11/h3-7,9,12,17H,8H2,1-2H3/t12-/m0/s1
InChIKey YRRRLNKBDSTMGH-LBPRGKRZSA-N
Molecular Weight 348.373 g/mol
SMILES N(c1c(cc(C(=O)C)s1)N(=O)=O)[C@](C(=O)OC)(Cc1ccccc1)[H]
SPLASH splash10-0007-9065000000-c34e2d57a307fb037050
Source of Spectrum O1-57-101-3
Wiley ID 1591426