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1-{[4-allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3,3-dimethyl-2-butanone
SpectraBase Compound ID Hr6pSQ1184u
InChI InChI=1S/C18H23N3O2S/c1-5-11-21-16(12-23-14-9-7-6-8-10-14)19-20-17(21)24-13-15(22)18(2,3)4/h5-10H,1,11-13H2,2-4H3
InChIKey SYEPVLNXRVXGNS-UHFFFAOYSA-N
Mol Weight 345.46 g/mol
Molecular Formula C18H23N3O2S
Exact Mass 345.151098 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CouQSMsdsQU
Name 1-{[4-allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3,3-dimethyl-2-butanone
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/C18H23N3O2S/c1-5-11-21-16(12-23-14-9-7-6-8-10-14)19-20-17(21)24-13-15(22)18(2,3)4/h5-10H,1,11-13H2,2-4H3
InChIKey SYEPVLNXRVXGNS-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4957
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: E08421; Labnumber: GRES-37042; SBI_ID: SBI-004959
Temperature 308 °C