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threo-2-Methyl-7-phenylthio-8-octadecanol

View entire compound with spectra: 2 NMR

threo-2-Methyl-7-phenylthio-8-octadecanol
SpectraBase Compound ID 4cxfOMQt7gj
InChI InChI=1S/C25H44OS/c1-4-5-6-7-8-9-10-14-20-24(26)25(21-16-15-17-22(2)3)27-23-18-12-11-13-19-23/h11-13,18-19,22,24-26H,4-10,14-17,20-21H2,1-3H3
InChIKey NTNKXBLJBMYDRH-UHFFFAOYSA-N
Mol Weight 392.7 g/mol
Molecular Formula C25H44OS
Exact Mass 392.311287 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2vnL1pUySZq
Name erythro-2-Methyl-7-phenylthio-8-octadecanol
CAS Registry Number 68900-45-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C25H44OS
InChI InChI=1S/C25H44OS/c1-4-5-6-7-8-9-10-14-20-24(26)25(21-16-15-17-22(2)3)27-23-18-12-11-13-19-23/h11-13,18-19,22,24-26H,4-10,14-17,20-21H2,1-3H3
InChIKey NTNKXBLJBMYDRH-UHFFFAOYSA-N
Instrument Name Jeol FX-60
Literature Reference W. Pirkle, P.L. Rinaldi, J. Org. Chem. 44, 1025 (1979).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3