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2-AMINO-5-ETHYL-3-THIOPHENECARBOXYLIC ACID, ETHYL ESTER
SpectraBase Compound ID ADljJnKOvgH
InChI InChI=1S/C9H13NO2S/c1-3-6-5-7(8(10)13-6)9(11)12-4-2/h5H,3-4,10H2,1-2H3
InChIKey WJZCEFNVWQJNQI-UHFFFAOYSA-N
Mol Weight 199.27 g/mol
Molecular Formula C9H13NO2S
Exact Mass 199.0667 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 45sdydvSWIi
Name 2-AMINO-5-ETHYL-3-THIOPHENECARBOXYLIC ACID, ETHYL ESTER
Source of Sample A. M. Chippendale ICI Organic Division, Manchester (1975)
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H13NO2S
InChI InChI=1S/C9H13NO2S/c1-3-6-5-7(8(10)13-6)9(11)12-4-2/h5H,3-4,10H2,1-2H3
InChIKey WJZCEFNVWQJNQI-UHFFFAOYSA-N
Molecular Weight 199.27
Solvent Dimethyl sulfoxide-d6; Reference=TMS; Temperature=Ambient Spectrometer= Bruker WH-90
Synonyms 3-THIOPHENECARBOXYLIC ACID, 2-AMINO- 5-ETHYL-, ETHYL ESTER