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2-{[4-allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-benzodioxol-5-yl)acetamide
SpectraBase Compound ID Jjxr7sN6EZ7
InChI InChI=1S/C21H20N4O4S/c1-2-10-25-19(12-27-16-6-4-3-5-7-16)23-24-21(25)30-13-20(26)22-15-8-9-17-18(11-15)29-14-28-17/h2-9,11H,1,10,12-14H2,(H,22,26)
InChIKey QXOPHKSGFZPLAG-UHFFFAOYSA-N
Mol Weight 424.48 g/mol
Molecular Formula C21H20N4O4S
Exact Mass 424.120526 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1rnm6cZzlEd
Name 2-{[4-allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-benzodioxol-5-yl)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/C21H20N4O4S/c1-2-10-25-19(12-27-16-6-4-3-5-7-16)23-24-21(25)30-13-20(26)22-15-8-9-17-18(11-15)29-14-28-17/h2-9,11H,1,10,12-14H2,(H,22,26)
InChIKey QXOPHKSGFZPLAG-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11517
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: E06439; Labnumber: GRES-22588; SBI_ID: SBI-011520
Temperature 308 °C