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4-(sec-butylamino)-6-chloro-1,3,5-triazin-2-yl[(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)methyl]cyanamide
SpectraBase Compound ID FZu11eqxgSp
InChI InChI=1S/C16H16ClN7O3S/c1-3-10(2)19-15-20-14(17)21-16(22-15)23(8-18)9-24-13(25)11-6-4-5-7-12(11)28(24,26)27/h4-7,10H,3,9H2,1-2H3,(H,19,20,21,22)
InChIKey OMGBOSSCVRHNAO-UHFFFAOYSA-N
Mol Weight 421.86 g/mol
Molecular Formula C16H16ClN7O3S
Exact Mass 421.072386 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 39KwF4BCBAY
Name 4-(sec-butylamino)-6-chloro-1,3,5-triazin-2-yl[(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)methyl]cyanamide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 421.072386274 u
Formula C16H16ClN7O3S
InChI InChI=1S/C16H16ClN7O3S/c1-3-10(2)19-15-20-14(17)21-16(22-15)23(8-18)9-24-13(25)11-6-4-5-7-12(11)28(24,26)27/h4-7,10H,3,9H2,1-2H3,(H,19,20,21,22)
InChIKey OMGBOSSCVRHNAO-UHFFFAOYSA-N
Molecular Weight 421.863 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_3243
Solvent DMSO-d6
Source Vendor ID: NMR/12288680