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(S)-ALPHA-(((1,1-DIMETHYL)-ETHOXYCARBONYL)-AMINO)-5-CHLORO-2-THIOPHENEPROPANOIC_ACID

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(S)-ALPHA-(((1,1-DIMETHYL)-ETHOXYCARBONYL)-AMINO)-5-CHLORO-2-THIOPHENEPROPANOIC_ACID
SpectraBase Compound ID 8icGxWp7Ioa
InChI InChI=1S/C12H16ClNO4S/c1-12(2,3)18-11(17)14-8(10(15)16)6-7-4-5-9(13)19-7/h4-5,8H,6H2,1-3H3,(H,14,17)(H,15,16)/t8-/m0/s1
InChIKey WFISWLYIBVMABO-QMMMGPOBSA-N
Mol Weight 305.78 g/mol
Molecular Formula C12H16ClNO4S
Exact Mass 305.048857 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9KSUY1Orjrt
Name (S)-ALPHA-(((1,1-DIMETHYL)-ETHOXYCARBONYL)-AMINO)-5-CHLORO-2-THIOPHENEPROPANOIC_ACID
Compound Number 6D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H16ClNO4S
InChI InChI=1S/C12H16ClNO4S/c1-12(2,3)18-11(17)14-8(10(15)16)6-7-4-5-9(13)19-7/h4-5,8H,6H2,1-3H3,(H,14,17)(H,15,16)/t8-/m0/s1
InChIKey WFISWLYIBVMABO-QMMMGPOBSA-N
Literature Reference Author C.R.NOE,A.WEIGAND,S.PIRKER
Literature Reference Citation MH.CHEM.,127,1081(1996)
Literature Reference DOI 10.1007/BF00807581
Molecular Weight 305.776 g/mol
Solvent CDCl3
Source File Reference UWMZ711