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pyridin-2-yl phenylmethanesulfonate
SpectraBase Compound ID ImxPMJYmWJo
InChI InChI=1S/C12H11NO3S/c14-17(15,10-11-6-2-1-3-7-11)16-12-8-4-5-9-13-12/h1-9H,10H2
InChIKey IDYOYCILUNITOO-UHFFFAOYSA-N
Mol Weight 249.28 g/mol
Molecular Formula C12H11NO3S
Exact Mass 249.045964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID akbFFtnQRF
Name pyridin-2-yl phenylmethanesulfonate
Appearance Yellowish solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 249.045964389 u
Formula C12H11NO3S
InChI InChI=1S/C12H11NO3S/c14-17(15,10-11-6-2-1-3-7-11)16-12-8-4-5-9-13-12/h1-9H,10H2
InChIKey IDYOYCILUNITOO-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201701766
Molecular Weight 249.284 g/mol
Quality 146
SMILES C1(OS(=O)(=O)CC2=CC=CC=C2)=NC=CC=C1
SPLASH splash10-0006-9310000000-184d2ad51ed1b642269f
Source of Spectrum K1-2018-SM17-4i (DOI: 10.1002/ejoc.201701766)
Wiley ID 1894027