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(S)-6-Chlorothiochroman-4-ol 1,1-dioxide
SpectraBase Compound ID HOCBdrj00d5
InChI InChI=1S/C9H9ClO3S/c10-6-1-2-9-7(5-6)8(11)3-4-14(9,12)13/h1-2,5,8,11H,3-4H2/t8-/m0/s1
InChIKey OLYHNACXERPNAM-QMMMGPOBSA-N
Mol Weight 232.68 g/mol
Molecular Formula C9H9ClO3S
Exact Mass 231.996093 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1jWgmz5DZMr
Name (S)-6-Chlorothiochroman-4-ol 1,1-dioxide
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9ClO3S
InChI InChI=1S/C9H9ClO3S/c10-6-1-2-9-7(5-6)8(11)3-4-14(9,12)13/h1-2,5,8,11H,3-4H2/t8-/m0/s1
InChIKey OLYHNACXERPNAM-QMMMGPOBSA-N
Instrument Name GC-MS Thermoquest, VG Autospec-Q
Ionization Type EI
Literature Reference DOI 10.1021/acs.jnatprod.7b00298
Molecular Weight 232.681 g/mol
Reported Formula C9H9O3SCl
SMILES O[C@@]1(c2cc(ccc2S(CC1)(=O)=O)Cl)[H]
SPLASH splash10-000i-0920000000-bf951a50717f8350295c
Source of Spectrum G4-81-1039-8
Wiley ID 1867662