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2-[({[4-allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-N-phenylbenzamide
SpectraBase Compound ID BPmdg6DyaXI
InChI InChI=1S/C27H25N5O3S/c1-2-17-32-24(18-35-21-13-7-4-8-14-21)30-31-27(32)36-19-25(33)29-23-16-10-9-15-22(23)26(34)28-20-11-5-3-6-12-20/h2-16H,1,17-19H2,(H,28,34)(H,29,33)
InChIKey BXANBCUGJRNQON-UHFFFAOYSA-N
Mol Weight 499.59 g/mol
Molecular Formula C27H25N5O3S
Exact Mass 499.167811 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CvAmB7S6a9D
Name 2-[({[4-allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-N-phenylbenzamide
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/C27H25N5O3S/c1-2-17-32-24(18-35-21-13-7-4-8-14-21)30-31-27(32)36-19-25(33)29-23-16-10-9-15-22(23)26(34)28-20-11-5-3-6-12-20/h2-16H,1,17-19H2,(H,28,34)(H,29,33)
InChIKey BXANBCUGJRNQON-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_5856
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: NMR/11231602; Labnumber: LP-2110551; IOH_ID: IOH-005857