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(4R)-isothiochroman-4-ol
SpectraBase Compound ID 3LLPQpGr5Ez
InChI InChI=1S/C9H10OS/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-4,9-10H,5-6H2/t9-/m0/s1
InChIKey LMGWYNSDSPJQFX-VIFPVBQESA-N
Mol Weight 166.24 g/mol
Molecular Formula C9H10OS
Exact Mass 166.045236 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 22LqnW4TmXK
Name (4R)-isothiochroman-4-ol
Alternate Name(s) (R)-isothiochroman-4-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H10OS
InChI InChI=1S/C9H10OS/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-4,9-10H,5-6H2/t9-/m0/s1
InChIKey LMGWYNSDSPJQFX-VIFPVBQESA-N
Literature Reference DOI 10.1002/cctc.201801602
Molecular Weight 166.238 g/mol
SMILES O[C@@]1(c2c(cccc2)CSC1)[H]
SPLASH splash10-01bb-1900000000-1bb60d02cd041106dd14
Source of Spectrum CCC-11-SM15-6k
Wiley ID 1813294