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3-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)propanethioamide
SpectraBase Compound ID 9RWx7mBTxxg
InChI InChI=1S/C11H10N2O2S/c12-9(16)5-6-13-10(14)7-3-1-2-4-8(7)11(13)15/h1-4H,5-6H2,(H2,12,16)
InChIKey DJQBXHATCJIPIV-UHFFFAOYSA-N
Mol Weight 234.27 g/mol
Molecular Formula C11H10N2O2S
Exact Mass 234.046299 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7DUvyNdmINQ
Name 1H-isoindole-2-propanethioamide, 2,3-dihydro-1,3-dioxo-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 234.046298742 u
Formula C11H10N2O2S
InChI InChI=1S/C11H10N2O2S/c12-9(16)5-6-13-10(14)7-3-1-2-4-8(7)11(13)15/h1-4H,5-6H2,(H2,12,16)
InChIKey DJQBXHATCJIPIV-UHFFFAOYSA-N
Molecular Weight 234.273 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_10253
Solvent DMSO-d6
Source Vendor ID: NMR/10241632; Lab Info: KZ; Lab Number: KZ-S000034
Temperature 29.85 °C