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trans-THIOCARBONIC ACID, CYCLIC O,O-(1-METHYL-2-PENTYLETHYLENE)ESTER
SpectraBase Compound ID 64oyKIZNmmH
InChI InChI=1S/C9H16O2S/c1-3-4-5-6-8-7(2)10-9(12)11-8/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKey YCAHOBBJLWZBHU-HTQZYQBOSA-N
Mol Weight 188.29 g/mol
Molecular Formula C9H16O2S
Exact Mass 188.087101 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IA6KD46EC64
Name trans-THIOCARBONIC ACID, CYCLIC O,O-(1-METHYL-2-PENTYLETHYLENE)ESTER
Source of Sample L. Hevesi, J. B. Nagy, A. Krief Org. Magn. Resonance 10, 14(1977)
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O2S
InChI InChI=1S/C9H16O2S/c1-3-4-5-6-8-7(2)10-9(12)11-8/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKey YCAHOBBJLWZBHU-HTQZYQBOSA-N
Molecular Weight 188.29
Solvent Chloroform-d; Reference=TMS; Temperature=298 K Spectrometer= Bruker WP-60
Synonyms CARBONIC ACID, THIO-, CYCLIC O,O-/1-METHYL-2-PENTYLETHYLENE/ ESTER, trans-, 1,3-DIOXOLANE-2-THIONE, 4-METHYL- 5-PENTYL-, trans-,