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4-(4-allyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-2-methyl-2-hexanol

View entire compound with spectra: 2 NMR

4-(4-allyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-2-methyl-2-hexanol
SpectraBase Compound ID A6dLcViSj1j
InChI InChI=1S/C12H21N3OS/c1-5-7-15-10(13-14-11(15)17)9(6-2)8-12(3,4)16/h5,9,16H,1,6-8H2,2-4H3,(H,14,17)
InChIKey XTNUQFPJPWKBNJ-UHFFFAOYSA-N
Mol Weight 255.38 g/mol
Molecular Formula C12H21N3OS
Exact Mass 255.140533 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 20GX8GmcKN
Name 4H-1,2,4-triazole-3-propanol, gamma-ethyl-5-mercapto-alpha,alpha-dimethyl-4-(2-propenyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 255.140533481 u
Formula C12H21N3OS
InChI InChI=1S/C12H21N3OS/c1-5-7-15-10(13-14-11(15)17)9(6-2)8-12(3,4)16/h5,9,16H,1,6-8H2,2-4H3,(H,14,17)
InChIKey XTNUQFPJPWKBNJ-UHFFFAOYSA-N
Molecular Weight 255.380 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_1650
Solvent DMSO-d6
Source Vendor ID: ZI/8077979; Lab Info: ART; Lab Number: ART-bac0412
Temperature 29.85 °C