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(S)-6-Methylthiochroman-4-ol 1,1-dioxide
SpectraBase Compound ID LIaNhqDDhnE
InChI InChI=1S/C10H12O3S/c1-7-2-3-10-8(6-7)9(11)4-5-14(10,12)13/h2-3,6,9,11H,4-5H2,1H3/t9-/m0/s1
InChIKey FZZAMSVUDDPMLD-VIFPVBQESA-N
Mol Weight 212.26 g/mol
Molecular Formula C10H12O3S
Exact Mass 212.050715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F23mmTqSoPV
Name (S)-6-Methylthiochroman-4-ol 1,1-dioxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O3S
InChI InChI=1S/C10H12O3S/c1-7-2-3-10-8(6-7)9(11)4-5-14(10,12)13/h2-3,6,9,11H,4-5H2,1H3/t9-/m0/s1
InChIKey FZZAMSVUDDPMLD-VIFPVBQESA-N
Instrument Name GC-MS Thermoquest, VG Autospec-Q
Ionization Type EI
Literature Reference DOI 10.1021/acs.jnatprod.7b00298
Molecular Weight 212.263 g/mol
Reported Formula C10H12O3S
SMILES O[C@]1(CCS(c2ccc(C)cc12)(=O)=O)[H]
SPLASH splash10-014i-3920000000-8a1784d7aaf4bf87591b
Source of Spectrum G4-81-1039-5
Wiley ID 1867660