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(2-Ethylsulfanyl-4-nitro-benzoylamino)-acetic acid ethyl ester

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

(2-Ethylsulfanyl-4-nitro-benzoylamino)-acetic acid ethyl ester
SpectraBase Compound ID ACcB334MDqb
InChI InChI=1S/C13H16N2O5S/c1-3-20-12(16)8-14-13(17)10-6-5-9(15(18)19)7-11(10)21-4-2/h5-7H,3-4,8H2,1-2H3,(H,14,17)
InChIKey KZJQSYDAOCRLDH-UHFFFAOYSA-N
Mol Weight 312.34 g/mol
Molecular Formula C13H16N2O5S
Exact Mass 312.077993 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ArGXl7RTZaj
Name acetic acid, [[2-(ethylthio)-4-nitrobenzoyl]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 312.077992792 u
Formula C13H16N2O5S
InChI InChI=1S/C13H16N2O5S/c1-3-20-12(16)8-14-13(17)10-6-5-9(15(18)19)7-11(10)21-4-2/h5-7H,3-4,8H2,1-2H3,(H,14,17)
InChIKey KZJQSYDAOCRLDH-UHFFFAOYSA-N
Molecular Weight 312.340 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_16525
Solvent DMSO-d6
Source Vendor ID: NMR/11250920; Lab Info: L-12; Lab Number: ZLOT-0000004