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(Benzothiazol-2-ylsulfanyl)acetic acid, 2-(2,4-dimethylphenyl)-2-oxoethyl ester

View entire compound with spectra: 1 NMR, and 2 MS (GC)

(Benzothiazol-2-ylsulfanyl)acetic acid, 2-(2,4-dimethylphenyl)-2-oxoethyl ester
SpectraBase Compound ID LebEJ7HkP3s
InChI InChI=1S/C19H17NO3S2/c1-12-7-8-14(13(2)9-12)16(21)10-23-18(22)11-24-19-20-15-5-3-4-6-17(15)25-19/h3-9H,10-11H2,1-2H3
InChIKey VVHDVTPFGBLWEC-UHFFFAOYSA-N
Mol Weight 371.47 g/mol
Molecular Formula C19H17NO3S2
Exact Mass 371.064986 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6Lw6wg4ztfN
Name acetic acid, (2-benzothiazolylthio)-, 2-(2,4-dimethylphenyl)-2-oxoethyl 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 371.064985756 u
Formula C19H17NO3S2
InChI InChI=1S/C19H17NO3S2/c1-12-7-8-14(13(2)9-12)16(21)10-23-18(22)11-24-19-20-15-5-3-4-6-17(15)25-19/h3-9H,10-11H2,1-2H3
InChIKey VVHDVTPFGBLWEC-UHFFFAOYSA-N
Molecular Weight 371.469 g/mol
NMR Offset 17.7209
NMR Spectrometer Frequency 500.132
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_11444
Solvent CDCl3
Source Vendor ID: NMR/10261431; Lab Info: L-25; Lab Number: L25-2501476