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5-Octyl-1-tosyl-1,2,3,6-tetrahydropyridin-3-ol
SpectraBase Compound ID RnZ7BBlnt7
InChI InChI=1S/C20H31NO3S/c1-3-4-5-6-7-8-9-18-14-19(22)16-21(15-18)25(23,24)20-12-10-17(2)11-13-20/h10-14,19,22H,3-9,15-16H2,1-2H3
InChIKey QMONGLKBYFMYHR-UHFFFAOYSA-N
Mol Weight 365.53 g/mol
Molecular Formula C20H31NO3S
Exact Mass 365.202465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9jqeWlMSBCe
Name 5-Octyl-1-tosyl-1,2,3,6-tetrahydropyridin-3-ol
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 365.202465033 u
Formula C20H31NO3S
InChI InChI=1S/C20H31NO3S/c1-3-4-5-6-7-8-9-18-14-19(22)16-21(15-18)25(23,24)20-12-10-17(2)11-13-20/h10-14,19,22H,3-9,15-16H2,1-2H3
InChIKey QMONGLKBYFMYHR-UHFFFAOYSA-N
Instrument Name LRMS
Ionization Type EI
Literature Reference DOI 10.1002/chem.202203068
Molecular Weight 365.532 g/mol
Quality 210
Reported Formula C20H31NO3S
SMILES OC1C=C(CN(C1)S(C1=CC=C(C=C1)C)(=O)=O)CCCCCCCC
SPLASH splash10-053r-5930000000-6da0ba2c547ab846af19
Source of Spectrum QE-29-SM28-3am (DOI: 10.1002/chem.202203068)
Thin-Layer Chromatography 0.40 (20% EtOAc/toluene)
Wiley ID 1909452