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4-(Benzothiazole-2-carbonyl)-1-m-tolyl-1H-pyrazole-3-carboxylic acid ethyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-(Benzothiazole-2-carbonyl)-1-m-tolyl-1H-pyrazole-3-carboxylic acid ethyl ester
SpectraBase Compound ID 3qUP1wUnNHS
InChI InChI=1S/C21H17N3O3S/c1-3-27-21(26)18-15(12-24(23-18)14-8-6-7-13(2)11-14)19(25)20-22-16-9-4-5-10-17(16)28-20/h4-12H,3H2,1-2H3
InChIKey WJKZEVAQFMJRJV-UHFFFAOYSA-N
Mol Weight 391.45 g/mol
Molecular Formula C21H17N3O3S
Exact Mass 391.099063 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3KlT0EO09b0
Name 1H-pyrazole-3-carboxylic acid, 4-(2-benzothiazolylcarbonyl)-1-(3-methylphenyl)-, 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 391.099062590 u
Formula C21H17N3O3S
InChI InChI=1S/C21H17N3O3S/c1-3-27-21(26)18-15(12-24(23-18)14-8-6-7-13(2)11-14)19(25)20-22-16-9-4-5-10-17(16)28-20/h4-12H,3H2,1-2H3
InChIKey WJKZEVAQFMJRJV-UHFFFAOYSA-N
Molecular Weight 391.445 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_18376
Solvent DMSO-d6
Source Vendor ID: NMR/11220451; Lab Info: ZAG; Lab Number: ZAG-0102559