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(1R,2R,4S)-4-ISOPROPENYL-2-(PHENYLTHIO)-CYCLOHEXANE-CARBALDEHYDE
SpectraBase Compound ID JpVFZijLKs0
InChI InChI=1S/C16H20OS/c1-12(2)13-8-9-14(11-17)16(10-13)18-15-6-4-3-5-7-15/h3-7,11,13-14,16H,1,8-10H2,2H3/t13-,14+,16+/m0/s1
InChIKey PTTXRGTXMVWTMY-SQWLQELKSA-N
Mol Weight 260.39 g/mol
Molecular Formula C16H20OS
Exact Mass 260.123486 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6qbKCTTpEWY
Name (1R,2R,4S)-4-ISOPROPENYL-2-(PHENYLTHIO)-CYCLOHEXANE-CARBALDEHYDE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H20OS
InChI InChI=1S/C16H20OS/c1-12(2)13-8-9-14(11-17)16(10-13)18-15-6-4-3-5-7-15/h3-7,11,13-14,16H,1,8-10H2,2H3/t13-,14+,16+/m0/s1
InChIKey PTTXRGTXMVWTMY-SQWLQELKSA-N
Literature Reference Author Q.A.R.D.ALMEIDA,M.L.D.O.PEREIRA,R.B.COELHO,E.M.D.CARVALHO,C. R.KAISER
Literature Reference Citation J.BRAZ.CHEM.SOC.,19,894(2008)
Literature Reference DOI 10.1590/s0103-50532008000500013
Molecular Weight 260.394 g/mol
Source File Reference UWIR5226