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2-[(4-allyl-5-cyclopropyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide
SpectraBase Compound ID DuezJ2c0Bwu
InChI InChI=1S/C16H18N4OS/c1-2-10-20-15(12-8-9-12)18-19-16(20)22-11-14(21)17-13-6-4-3-5-7-13/h2-7,12H,1,8-11H2,(H,17,21)
InChIKey QHHUCLMJFVJXNG-UHFFFAOYSA-N
Mol Weight 314.41 g/mol
Molecular Formula C16H18N4OS
Exact Mass 314.120132 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BBEScFK1rUS
Name 2-[(4-allyl-5-cyclopropyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C16H18N4OS/c1-2-10-20-15(12-8-9-12)18-19-16(20)22-11-14(21)17-13-6-4-3-5-7-13/h2-7,12H,1,8-11H2,(H,17,21)
InChIKey QHHUCLMJFVJXNG-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_29093
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D91256; Labnumber: VGU-0022761; SBI_ID: SBI-029097
Temperature 318 °C