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4-HYDROXY-3-METHYL-5-[(OCTYLTHIO)-METHYL]-BENZALDEHYDE
SpectraBase Compound ID C5MwxPcTqtf
InChI InChI=1S/C17H26O2S/c1-3-4-5-6-7-8-9-20-13-16-11-15(12-18)10-14(2)17(16)19/h10-12,19H,3-9,13H2,1-2H3
InChIKey ADGKWBQWWQSJCA-UHFFFAOYSA-N
Mol Weight 294.45 g/mol
Molecular Formula C17H26O2S
Exact Mass 294.165351 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bd3cWvyCVyz
Name 4-HYDROXY-3-METHYL-5-[(OCTYLTHIO)-METHYL]-BENZALDEHYDE
Compound Number 6
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H26O2S
InChI InChI=1S/C17H26O2S/c1-3-4-5-6-7-8-9-20-13-16-11-15(12-18)10-14(2)17(16)19/h10-12,19H,3-9,13H2,1-2H3
InChIKey ADGKWBQWWQSJCA-UHFFFAOYSA-N
Literature Reference Author H.MEIER,H.KUENZI,H.FUHRER,G.RIST
Literature Reference Citation HELV.CHIM.ACTA,77,655(1994)
Literature Reference DOI 10.1002/hlca.19940770308
Molecular Weight 294.452 g/mol
Solvent CDCl3
Source File Reference UWVP4441