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6-Chlorothiochroman-4-ol 1-oxide
SpectraBase Compound ID KECcR2mIiWr
InChI InChI=1S/C9H9ClO2S/c10-6-1-2-9-7(5-6)8(11)3-4-13(9)12/h1-2,5,8,11H,3-4H2
InChIKey MWYMDUODJCKIRG-UHFFFAOYSA-N
Mol Weight 216.68 g/mol
Molecular Formula C9H9ClO2S
Exact Mass 216.001178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ImYDXD0JDRb
Name 6-Chlorothiochroman-4-ol 1-oxide
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9ClO2S
InChI InChI=1S/C9H9ClO2S/c10-6-1-2-9-7(5-6)8(11)3-4-13(9)12/h1-2,5,8,11H,3-4H2
InChIKey MWYMDUODJCKIRG-UHFFFAOYSA-N
Instrument Name GC-MS Thermoquest, VG Autospec-Q
Ionization Type EI
Literature Reference DOI 10.1021/acs.jnatprod.7b00298
Reported Formula C9H9O2SCl
SMILES OC1c2cc(ccc2S(CC1)=O)Cl
SPLASH splash10-00dj-0910000000-c5d9fcf2d9d09c153022
Source of Spectrum G4-81-1039-7
Wiley ID 1867661