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2-[(5-isobutyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-3-isoxazolyl)acetamide
SpectraBase Compound ID K1Ot4x7qBhC
InChI InChI=1S/C12H17N5O2S/c1-7(2)4-9-14-12(16-15-9)20-6-11(18)13-10-5-8(3)19-17-10/h5,7H,4,6H2,1-3H3,(H,13,17,18)(H,14,15,16)
InChIKey XJKZJZFYQZONNQ-UHFFFAOYSA-N
Mol Weight 295.36 g/mol
Molecular Formula C12H17N5O2S
Exact Mass 295.110296 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4VRWE8BKLb5
Name 2-[(5-isobutyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-3-isoxazolyl)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/C12H17N5O2S/c1-7(2)4-9-14-12(16-15-9)20-6-11(18)13-10-5-8(3)19-17-10/h5,7H,4,6H2,1-3H3,(H,13,17,18)(H,14,15,16)
InChIKey XJKZJZFYQZONNQ-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_8223
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent ACETONE-d6
Source File Reference VendorID: UZI/1009212; UBI_ID: UBI-008226
Temperature 313 °C