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2-{[4-allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-iodophenyl)acetamide
SpectraBase Compound ID BlEBcB78ELR
InChI InChI=1S/C20H19IN4O2S/c1-2-12-25-18(13-27-15-8-4-3-5-9-15)23-24-20(25)28-14-19(26)22-17-11-7-6-10-16(17)21/h2-11H,1,12-14H2,(H,22,26)
InChIKey XEVOUGWCFIHVAF-UHFFFAOYSA-N
Mol Weight 506.36 g/mol
Molecular Formula C20H19IN4O2S
Exact Mass 506.027342 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9nRGVVzjHnr
Name 2-{[4-allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-iodophenyl)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/C20H19IN4O2S/c1-2-12-25-18(13-27-15-8-4-3-5-9-15)23-24-20(25)28-14-19(26)22-17-11-7-6-10-16(17)21/h2-11H,1,12-14H2,(H,22,26)
InChIKey XEVOUGWCFIHVAF-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_34476
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: 8127252; SBI_ID: SBI-034480
Temperature 318 °C