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2-{[5-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methyl-3,5-dinitrophenyl)acetamide

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2-{[5-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methyl-3,5-dinitrophenyl)acetamide
SpectraBase Compound ID Ap7GjtpxHz8
InChI InChI=1S/C22H26N8O6S/c1-13-7-16(27(3)26-13)10-20-24-25-22(28(20)11-17-5-4-6-36-17)37-12-21(31)23-15-8-18(29(32)33)14(2)19(9-15)30(34)35/h7-9,17H,4-6,10-12H2,1-3H3,(H,23,31)
InChIKey ALSKVSQQIJMZIS-UHFFFAOYSA-N
Mol Weight 530.56 g/mol
Molecular Formula C22H26N8O6S
Exact Mass 530.169602 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IfwuMuiZhVO
Name 2-{[5-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methyl-3,5-dinitrophenyl)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/C22H26N8O6S/c1-13-7-16(27(3)26-13)10-20-24-25-22(28(20)11-17-5-4-6-36-17)37-12-21(31)23-15-8-18(29(32)33)14(2)19(9-15)30(34)35/h7-9,17H,4-6,10-12H2,1-3H3,(H,23,31)
InChIKey ALSKVSQQIJMZIS-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_29874
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: 1347813; SBI_ID: SBI-029878
Temperature 308 °C