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3-hexyl-5-[(4H-pyrazol-3-ylsulfanyl)methyl]oxolan-2-one
SpectraBase Compound ID KBbHWei4nqu
InChI InChI=1S/C13H21N3O2S/c1-2-3-4-5-6-10-7-11(18-12(10)17)8-19-13-14-9-15-16-13/h9-11H,2-8H2,1H3,(H,14,15,16)
InChIKey KDNSRQZQDQQWDU-UHFFFAOYSA-N
Mol Weight 283.39 g/mol
Molecular Formula C13H21N3O2S
Exact Mass 283.135448 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 83PZHAwG5VO
Name 3-hexyl-5-[(4H-pyrazol-3-ylsulfanyl)methyl]oxolan-2-one
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 283.135448100 u
Formula C13H21N3O2S
InChI InChI=1S/C13H21N3O2S/c1-2-3-4-5-6-10-7-11(18-12(10)17)8-19-13-14-9-15-16-13/h9-11H,2-8H2,1H3,(H,14,15,16)
InChIKey KDNSRQZQDQQWDU-UHFFFAOYSA-N
Molecular Weight 283.390 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_7792
Solvent DMSO-d6
Source Vendor ID: NMR/13308634