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2-{[4-allyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(9-ethyl-9H-carbazol-3-yl)acetamide
SpectraBase Compound ID IAp9BETu2XN
InChI InChI=1S/C28H27N5OS/c1-4-16-33-27(20-12-10-19(3)11-13-20)30-31-28(33)35-18-26(34)29-21-14-15-25-23(17-21)22-8-6-7-9-24(22)32(25)5-2/h4,6-15,17H,1,5,16,18H2,2-3H3,(H,29,34)
InChIKey DJYAPEIBWBQURJ-UHFFFAOYSA-N
Mol Weight 481.62 g/mol
Molecular Formula C28H27N5OS
Exact Mass 481.193632 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AFEk8t0Vuj
Name 2-{[4-allyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(9-ethyl-9H-carbazol-3-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/C28H27N5OS/c1-4-16-33-27(20-12-10-19(3)11-13-20)30-31-28(33)35-18-26(34)29-21-14-15-25-23(17-21)22-8-6-7-9-24(22)32(25)5-2/h4,6-15,17H,1,5,16,18H2,2-3H3,(H,29,34)
InChIKey DJYAPEIBWBQURJ-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4949
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: E08413; Labnumber: GRES-37033; SBI_ID: SBI-004951
Temperature 308 °C