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3-thiophenecarboxylic acid, 4,5-dimethyl-2-[[(3-nitro-1H-1,2,4-triazol-1-yl)acetyl]amino]-, ethyl ester
SpectraBase Compound ID 14V6UszEFYL
InChI InChI=1S/C13H15N5O5S/c1-4-23-12(20)10-7(2)8(3)24-11(10)15-9(19)5-17-6-14-13(16-17)18(21)22/h6H,4-5H2,1-3H3,(H,15,19)
InChIKey MYWCAYNMUURAFL-UHFFFAOYSA-N
Mol Weight 353.35 g/mol
Molecular Formula C13H15N5O5S
Exact Mass 353.07939 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2F3AtYa3han
Name 3-thiophenecarboxylic acid, 4,5-dimethyl-2-[[(3-nitro-1H-1,2,4-triazol-1-yl)acetyl]amino]-, ethyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 353.079389772 u
Formula C13H15N5O5S
InChI InChI=1S/C13H15N5O5S/c1-4-23-12(20)10-7(2)8(3)24-11(10)15-9(19)5-17-6-14-13(16-17)18(21)22/h6H,4-5H2,1-3H3,(H,15,19)
InChIKey MYWCAYNMUURAFL-UHFFFAOYSA-N
Molecular Weight 353.353 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_8342
Solvent DMSO-d6
Source Vendor ID: NMR/9322122; Lab Info: PNA; Lab Number: PNA-NA00851
Temperature 29.85 °C