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5,5-dimethyl-3-[(5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]dihydro-2(3H)-furanone
SpectraBase Compound ID AtWcuYAu4P7
InChI InChI=1S/C9H13N3O2S/c1-9(2)4-5(7(13)14-9)3-6-10-8(15)12-11-6/h5H,3-4H2,1-2H3,(H2,10,11,12,15)
InChIKey SBDNCZFLQXTIDQ-UHFFFAOYSA-N
Mol Weight 227.28 g/mol
Molecular Formula C9H13N3O2S
Exact Mass 227.072848 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2I6SyaMQXYN
Name 5,5-dimethyl-3-[(5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]dihydro-2(3H)-furanone
Copyright Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 227.072847843 u
Formula C9H13N3O2S
InChI InChI=1S/C9H13N3O2S/c1-9(2)4-5(7(13)14-9)3-6-10-8(15)12-11-6/h5H,3-4H2,1-2H3,(H2,10,11,12,15)
InChIKey SBDNCZFLQXTIDQ-UHFFFAOYSA-N
Molecular Weight 227.282 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_1943
Solvent DMSO-d6
Source Vendor ID: NMR/12278680