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4-allyl-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol

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4-allyl-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID HuA1gYsdIOy
InChI InChI=1S/C12H13N3OS/c1-2-8-15-11(13-14-12(15)17)9-16-10-6-4-3-5-7-10/h2-7H,1,8-9H2,(H,14,17)
InChIKey NIAYRNAJFNFAIP-UHFFFAOYSA-N
Mol Weight 247.32 g/mol
Molecular Formula C12H13N3OS
Exact Mass 247.077933 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2UZTZlN6IV1
Name 4-allyl-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 247.077933224 u
Formula C12H13N3OS
InChI InChI=1S/C12H13N3OS/c1-2-8-15-11(13-14-12(15)17)9-16-10-6-4-3-5-7-10/h2-7H,1,8-9H2,(H,14,17)
InChIKey NIAYRNAJFNFAIP-UHFFFAOYSA-N
Molecular Weight 247.316 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_341
Solvent DMSO-d6
Source Vendor ID: NMR/12268075