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

View entire compound with spectra: 2 NMR

4-(4-allyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-propoxy-2-octanol
SpectraBase Compound ID B2Ds6GPIIaQ
InChI InChI=1S/C16H29N3O2S/c1-4-7-8-13(11-14(20)12-21-10-6-3)15-17-18-16(22)19(15)9-5-2/h5,13-14,20H,2,4,6-12H2,1,3H3,(H,18,22)
InChIKey SFTZVLUIESDDRA-UHFFFAOYSA-N
Mol Weight 327.49 g/mol
Molecular Formula C16H29N3O2S
Exact Mass 327.198048 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8PFbamcOQIC
Name 4H-1,2,4-triazole-3-propanol, gamma-butyl-5-mercapto-4-(2-propenyl)-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 327.198048358 u
Formula C16H29N3O2S
InChI InChI=1S/C16H29N3O2S/c1-4-7-8-13(11-14(20)12-21-10-6-3)15-17-18-16(22)19(15)9-5-2/h5,13-14,20H,2,4,6-12H2,1,3H3,(H,18,22)
InChIKey SFTZVLUIESDDRA-UHFFFAOYSA-N
Molecular Weight 327.487 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_1645
Solvent DMSO-d6
Source Vendor ID: ZI/8076049; Lab Info: ART; Lab Number: ART-bac0447
Temperature 29.85 °C