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benzoic acid, 4-[(5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)methyl]-,methyl ester
SpectraBase Compound ID BGKAnhMU9g0
InChI InChI=1S/C18H14N4O2S/c1-24-17(23)12-8-6-11(7-9-12)10-25-18-20-16-15(21-22-18)13-4-2-3-5-14(13)19-16/h2-9H,10H2,1H3,(H,19,20,22)
InChIKey KXWVTMMCWKUNBV-UHFFFAOYSA-N
Mol Weight 350.4 g/mol
Molecular Formula C18H14N4O2S
Exact Mass 350.083747 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EqcNPz5mEEa
Name benzoic acid, 4-[(5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)methyl]-,methyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 350.083746879 u
Formula C18H14N4O2S
InChI InChI=1S/C18H14N4O2S/c1-24-17(23)12-8-6-11(7-9-12)10-25-18-20-16-15(21-22-18)13-4-2-3-5-14(13)19-16/h2-9H,10H2,1H3,(H,19,20,22)
InChIKey KXWVTMMCWKUNBV-UHFFFAOYSA-N
Molecular Weight 350.396 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_17909
Solvent DMSO-d6
Source Vendor ID: NMR/11240290; Lab Info: SAD; Lab Number: 25