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acetamide, N-(2-benzothiazolyl)-2-[[5-(1-methylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]thio]-
SpectraBase Compound ID 2D18TIaKBrp
InChI InChI=1S/C21H18N6OS2/c1-12(2)27-15-9-5-3-7-13(15)18-19(27)24-21(26-25-18)29-11-17(28)23-20-22-14-8-4-6-10-16(14)30-20/h3-10,12H,11H2,1-2H3,(H,22,23,28)
InChIKey LPDNPPFATBRTMS-UHFFFAOYSA-N
Mol Weight 434.54 g/mol
Molecular Formula C21H18N6OS2
Exact Mass 434.098352 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DtlLKWORCeA
Name acetamide, N-(2-benzothiazolyl)-2-[[5-(1-methylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-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 434.098351571 u
Formula C21H18N6OS2
InChI InChI=1S/C21H18N6OS2/c1-12(2)27-15-9-5-3-7-13(15)18-19(27)24-21(26-25-18)29-11-17(28)23-20-22-14-8-4-6-10-16(14)30-20/h3-10,12H,11H2,1-2H3,(H,22,23,28)
InChIKey LPDNPPFATBRTMS-UHFFFAOYSA-N
Molecular Weight 434.536 g/mol
NMR Offset 16.0087
NMR Spectrometer Frequency 500.133
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_4536
Solvent DMSO-d6
Source Vendor ID: ZI/9065634; Lab Info: PNA; Lab Number: PNA-PK00006