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2-[[4-(carboxymethylsulfanyl)-6-(N-phenylanilino)-1,3,5-triazin-2-yl]sulfanyl]acetic acid
SpectraBase Compound ID ADf74X1I7vr
InChI InChI=1S/C19H16N4O4S2/c24-15(25)11-28-18-20-17(21-19(22-18)29-12-16(26)27)23(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,24,25)(H,26,27)
InChIKey ZTKGGLLOFTXJHK-UHFFFAOYSA-N
Mol Weight 428.48 g/mol
Molecular Formula C19H16N4O4S2
Exact Mass 428.061297 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3GgfEe47Igz
Name acetic acid, [[4-[(carboxymethyl)thio]-6-(diphenylamino)-1,3,5-triazin-2-yl]thio]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 428.061297355 u
Formula C19H16N4O4S2
InChI InChI=1S/C19H16N4O4S2/c24-15(25)11-28-18-20-17(21-19(22-18)29-12-16(26)27)23(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,24,25)(H,26,27)
InChIKey ZTKGGLLOFTXJHK-UHFFFAOYSA-N
Molecular Weight 428.481 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_10424
Solvent DMSO-d6
Source Vendor ID: NMR/10250022; Lab Info: KE; Lab Number: KE-0000013