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1-Mercapto-2-methoxycarbonylamino-3-methyl-but-3-ene
SpectraBase Compound ID B4PAiFgGXtU
InChI InChI=1S/C7H13NO2S/c1-5(2)6(4-11)8-7(9)10-3/h6,11H,1,4H2,2-3H3,(H,8,9)
InChIKey VLIXNQTWGABQOL-UHFFFAOYSA-N
Mol Weight 175.25 g/mol
Molecular Formula C7H13NO2S
Exact Mass 175.0667 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3yAyqZ61hUE
Name 1-Mercapto-2-methoxycarbonylamino-3-methyl-but-3-ene
CAS Registry Number 114087-09-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H13NO2S
InChI InChI=1S/C7H13NO2S/c1-5(2)6(4-11)8-7(9)10-3/h6,11H,1,4H2,2-3H3,(H,8,9)
InChIKey VLIXNQTWGABQOL-UHFFFAOYSA-N
Instrument Name Bruker AM-360
Literature Reference E.H. Abd Elall, J.M. Mellor, J. Chem. Soc. Perkin I 2729 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3