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

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

1-butoxy-3-pyridin-2-ylsulfanylpropan-2-ol
SpectraBase Compound ID 6Bl5eIOk6m
InChI InChI=1S/C12H19NO2S/c1-2-3-8-15-9-11(14)10-16-12-6-4-5-7-13-12/h4-7,11,14H,2-3,8-10H2,1H3
InChIKey NNRGIPKAQUOVHP-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 1OZbXB9XfBs
Name 1-Butoxy-3-(2-pyridinylthio)-2-propanol
CAS Registry Number 128729-80-6
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)10-16-12-6-4-5-7-13-12/h4-7,11,14H,2-3,8-10H2,1H3
InChIKey NNRGIPKAQUOVHP-UHFFFAOYSA-N
Molecular Weight 241.349 g/mol
SMILES OC(CSc1ncccc1)COCCCC
SPLASH splash10-0udi-1900000000-cda7bf67b912976ec20e
Source of Spectrum F-46-2547-1
Synonyms 1-Butoxy-3-(2-pyridylsulfanyl)propan-2-ol 1-Butoxy-3-(2-pyridylthio)propan-2-ol 1-Butoxy-3-pyridin-2-ylsulfanyl-propan-2-ol
Wiley ID 1243980