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4-{2-[5-(4-Methylbenzylidene)-2,4-dioxothiazolidin-3-yl]acetamido}benzoic acid
SpectraBase Compound ID 1YP4vXPn8Rr
InChI InChI=1S/C20H16N2O5S/c1-12-2-4-13(5-3-12)10-16-18(24)22(20(27)28-16)11-17(23)21-15-8-6-14(7-9-15)19(25)26/h2-10H,11H2,1H3,(H,21,23)(H,25,26)
InChIKey SYSVQLMWXVZERF-UHFFFAOYSA-N
Mol Weight 396.42 g/mol
Molecular Formula C20H16N2O5S
Exact Mass 396.077993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CNXZdp2FVrV
Name 4-{2-[5-(4-Methylbenzylidene)-2,4-dioxothiazolidin-3-yl]acetamido}benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.077992792 u
Formula C20H16N2O5S
InChI InChI=1S/C20H16N2O5S/c1-12-2-4-13(5-3-12)10-16-18(24)22(20(27)28-16)11-17(23)21-15-8-6-14(7-9-15)19(25)26/h2-10H,11H2,1H3,(H,21,23)(H,25,26)
InChIKey SYSVQLMWXVZERF-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ardp.202300137
Molecular Weight 396.417 g/mol
SMILES N(C(CN1C(C(=CC2=CC=C(C)C=C2)SC1=O)=O)=O)C1=CC=C(C(O)=O)C=C1
SPLASH splash10-0udl-0094000000-817ee19f8ceb3b1c5d54
Source of Spectrum APC-356-16-4i (DOI: 10.1002/ardp.202300137)
Wiley ID 1909825