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1H-pyrazole-4-carboxylic acid, 5-[[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]acetyl]amino]-1-phenyl-, ethyl ester
SpectraBase Compound ID ZHvblOarh6
InChI InChI=1S/C17H17N5O3S2/c1-3-25-16(24)13-9-18-22(12-7-5-4-6-8-12)15(13)19-14(23)10-26-17-21-20-11(2)27-17/h4-9H,3,10H2,1-2H3,(H,19,23)
InChIKey XDSPYQADIJLUSV-UHFFFAOYSA-N
Mol Weight 403.48 g/mol
Molecular Formula C17H17N5O3S2
Exact Mass 403.077282 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9PLTHUqlou3
Name 1H-pyrazole-4-carboxylic acid, 5-[[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]acetyl]amino]-1-phenyl-, 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 403.077281772 u
Formula C17H17N5O3S2
InChI InChI=1S/C17H17N5O3S2/c1-3-25-16(24)13-9-18-22(12-7-5-4-6-8-12)15(13)19-14(23)10-26-17-21-20-11(2)27-17/h4-9H,3,10H2,1-2H3,(H,19,23)
InChIKey XDSPYQADIJLUSV-UHFFFAOYSA-N
Molecular Weight 403.475 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_5258
Solvent DMSO-d6
Source Vendor ID: NMR/9254936; Lab Info: PNA; Lab Number: PNA-NA00476