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2-{[4-allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID CIcexvmjky4
InChI InChI=1S/C14H16N4O2S/c1-2-8-18-13(9-20-11-6-4-3-5-7-11)16-17-14(18)21-10-12(15)19/h2-7H,1,8-10H2,(H2,15,19)
InChIKey IWHFFKSLDLXBDD-UHFFFAOYSA-N
Mol Weight 304.37 g/mol
Molecular Formula C14H16N4O2S
Exact Mass 304.099397 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4rlCHp3I9FD
Name 2-{[4-allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
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/C14H16N4O2S/c1-2-8-18-13(9-20-11-6-4-3-5-7-11)16-17-14(18)21-10-12(15)19/h2-7H,1,8-10H2,(H2,15,19)
InChIKey IWHFFKSLDLXBDD-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_4624
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: UZI/8121418; UBI_ID: UBI-004625
Temperature 313 °C