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(1S,2S)-4-Bromo-3-(methylsulfanyl)cyclohex-3-ene-1,2-diol
SpectraBase Compound ID KU5H0kHBL0v
InChI InChI=1S/C7H11BrO2S/c1-11-7-4(8)2-3-5(9)6(7)10/h5-6,9-10H,2-3H2,1H3/t5-,6-/m0/s1
InChIKey CUXBZVWFDIYNNM-WDSKDSINSA-N
Mol Weight 239.13 g/mol
Molecular Formula C7H11BrO2S
Exact Mass 237.966314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3aBNZNlDBQe
Name (1S,2S)-4-Bromo-3-(methylsulfanyl)cyclohex-3-ene-1,2-diol
Alternate Name(s) (1S,2S)-4-bromo-3-(methylsulfanyl)-3-cyclohexene-1,2-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H11BrO2S
InChI InChI=1S/C7H11BrO2S/c1-11-7-4(8)2-3-5(9)6(7)10/h5-6,9-10H,2-3H2,1H3/t5-,6-/m0/s1
InChIKey CUXBZVWFDIYNNM-WDSKDSINSA-N
Molecular Weight 239.127 g/mol
SMILES O[C@]1(CCC(=C([C@]1(O)[H])SC)Br)[H]
SPLASH splash10-0002-0920000000-193e48f3131e5dcbc2b5
Source of Spectrum Y2-70-1722-18
Wiley ID 1587476