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1-butoxy-3-pyridin-4-ylsulfanylpropan-2-ol

View entire compound with spectra: 2 NMR, and 1 MS (GC)

1-butoxy-3-pyridin-4-ylsulfanylpropan-2-ol
SpectraBase Compound ID 6cfcXxNmLke
InChI InChI=1S/C12H19NO2S/c1-2-3-8-15-9-11(14)10-16-12-4-6-13-7-5-12/h4-7,11,14H,2-3,8-10H2,1H3
InChIKey HSTQJKHMAYVLNR-UHFFFAOYSA-N
Mol Weight 241.35 g/mol
Molecular Formula C12H19NO2S
Exact Mass 241.11365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3YbmxeCNabO
Name 1-Butoxy-3-(4-pyridylsulfanyl)propan-2-ol
Alternate Name(s) 1-Butoxy-3-(4-pyridylthio)propan-2-ol 1-Butoxy-3-(pyridin-4-ylthio)-2-propanol 1-Butoxy-3-pyridin-4-ylsulfanyl-propan-2-ol
CAS Registry Number 128729-85-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H19NO2S
InChI InChI=1S/C12H19NO2S/c1-2-3-8-15-9-11(14)10-16-12-4-6-13-7-5-12/h4-7,11,14H,2-3,8-10H2,1H3
InChIKey HSTQJKHMAYVLNR-UHFFFAOYSA-N
Molecular Weight 241.349 g/mol
SMILES OC(CSc1ccncc1)COCCCC
SPLASH splash10-0a4i-9400000000-6e8b0aa0dca015d22412
Source of Spectrum F-46-2548-4
Wiley ID 1243981