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3-BUTYL-5-METHYL-2,4,6-TRITHIA-HEPTANE;(DIASTEREOMER-1)
SpectraBase Compound ID HDUF1ao1yBB
InChI InChI=1S/C9H20S3/c1-5-6-7-9(11-4)12-8(2)10-3/h8-9H,5-7H2,1-4H3
InChIKey VAKOFDSPDCWPRL-UHFFFAOYSA-N
Mol Weight 224.44 g/mol
Molecular Formula C9H20S3
Exact Mass 224.072714 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E85z18ce68m
Name 3-BUTYL-5-METHYL-2,4,6-TRITHIA-HEPTANE;(DIASTEREOMER-1)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H20S3
InChI InChI=1S/C9H20S3/c1-5-6-7-9(11-4)12-8(2)10-3/h8-9H,5-7H2,1-4H3
InChIKey VAKOFDSPDCWPRL-UHFFFAOYSA-N
Literature Reference Author J.S.GROSSERT,D.L.HOOPER,W.M.NEAVES
Literature Reference Citation CAN.J.CHEM.,59,326(1981)
Literature Reference DOI 10.1139/v81-051
Molecular Weight 224.438 g/mol
Solvent CDCl3
Source File Reference UWED4862