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2-{[5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SpectraBase Compound ID 3OFVk25xruc
InChI InChI=1S/C23H26N4O3S/c1-23(2,3)16-7-5-15(6-8-16)21-25-26-22(27(21)4)31-14-20(28)24-17-9-10-18-19(13-17)30-12-11-29-18/h5-10,13H,11-12,14H2,1-4H3,(H,24,28)
InChIKey UJALBLWCNHUYCZ-UHFFFAOYSA-N
Mol Weight 438.55 g/mol
Molecular Formula C23H26N4O3S
Exact Mass 438.172562 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BBHwLPFP0TS
Name 2-{[5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-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/C23H26N4O3S/c1-23(2,3)16-7-5-15(6-8-16)21-25-26-22(27(21)4)31-14-20(28)24-17-9-10-18-19(13-17)30-12-11-29-18/h5-10,13H,11-12,14H2,1-4H3,(H,24,28)
InChIKey UJALBLWCNHUYCZ-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4559
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: D99173; Labnumber: GRES-32559; SBI_ID: SBI-004561
Temperature 315 °C