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3-Mercapto-2,2,4-trimethyl-dithio-3-pentenoic acid, B-thiolactone
SpectraBase Compound ID 5hC4FBrBbft
InChI InChI=1S/C8H12S2/c1-5(2)6-8(3,4)7(9)10-6/h1-4H3
InChIKey JPLHVJDCSUCLGH-UHFFFAOYSA-N
Mol Weight 172.3 g/mol
Molecular Formula C8H12S2
Exact Mass 172.038043 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9fhgDtF01sH
Name 3-Mercapto-2,2,4-trimethyl-dithio-3-pentenoic acid, B-thiolactone
CAS Registry Number 10181-61-0
Comments SHIFTS ASSIGNED BY S.H.
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H12S2
InChI InChI=1S/C8H12S2/c1-5(2)6-8(3,4)7(9)10-6/h1-4H3
InChIKey JPLHVJDCSUCLGH-UHFFFAOYSA-N
Instrument Name Bruker WH-270
Literature Reference K. Muthuramu, B. Sundari, Tetrahedron 39, 2719 (1983).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3