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4-(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-propoxy-2-octanol

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4-(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-propoxy-2-octanol
SpectraBase Compound ID 2KdGRCC1Oc9
InChI InChI=1S/C19H29N3O2S/c1-3-5-9-15(13-17(23)14-24-12-4-2)18-20-21-19(25)22(18)16-10-7-6-8-11-16/h6-8,10-11,15,17,23H,3-5,9,12-14H2,1-2H3,(H,21,25)
InChIKey UNPFKWMFOOPVNB-UHFFFAOYSA-N
Mol Weight 363.52 g/mol
Molecular Formula C19H29N3O2S
Exact Mass 363.198048 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9gnrUyAGQtn
Name 4H-1,2,4-triazole-3-propanol, gamma-butyl-5-mercapto-4-phenyl-alpha-(propoxymethyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 363.198048358 u
Formula C19H29N3O2S
InChI InChI=1S/C19H29N3O2S/c1-3-5-9-15(13-17(23)14-24-12-4-2)18-20-21-19(25)22(18)16-10-7-6-8-11-16/h6-8,10-11,15,17,23H,3-5,9,12-14H2,1-2H3,(H,21,25)
InChIKey UNPFKWMFOOPVNB-UHFFFAOYSA-N
Molecular Weight 363.520 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_1647
Solvent DMSO-d6
Source Vendor ID: ZI/8076268; Lab Info: ART; Lab Number: ART-bac0445
Temperature 29.85 °C