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6-Bromo-5-(3-(1,3-dithian-2-ylidene)-1S*-hydroxy-2S*-methylbutyl)benzo[1,3]-1,3-dioxole

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6-Bromo-5-(3-(1,3-dithian-2-ylidene)-1S*-hydroxy-2S*-methylbutyl)benzo[1,3]-1,3-dioxole
SpectraBase Compound ID 2WUirDRdJ4D
InChI InChI=1S/C16H19BrO3S2/c1-9(10(2)16-21-4-3-5-22-16)15(18)11-6-13-14(7-12(11)17)20-8-19-13/h6-7,9,15,18H,3-5,8H2,1-2H3/t9-,15+/m1/s1
InChIKey WAVIYKNONDLITM-PSLIRLAXSA-N
Mol Weight 403.35 g/mol
Molecular Formula C16H19BrO3S2
Exact Mass 401.9959 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2C3mxetzCy
Name 6-Bromo-5-(3-(1,3-dithian-2-ylidene)-1S*-hydroxy-2S*-methylbutyl)benzo[1,3]-1,3-dioxole
Alternate Name(s) 6-Bromo-5-(3-(1,3-dithian-2-ylidene)-1S*-hydroxy-2R*-methylbutyl)benzo[1,3]-1,3-dioxole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19BrO3S2
InChI InChI=1S/C16H19BrO3S2/c1-9(10(2)16-21-4-3-5-22-16)15(18)11-6-13-14(7-12(11)17)20-8-19-13/h6-7,9,15,18H,3-5,8H2,1-2H3/t9-,15+/m1/s1
InChIKey WAVIYKNONDLITM-PSLIRLAXSA-N
Molecular Weight 403.349 g/mol
SMILES O[C@](c1c(cc2c(c1)OCO2)Br)([C@@](C(=C1SCCCS1)C)(C)[H])[H]
SPLASH splash10-004i-2492000000-8cf79d6be57185a53bb7
Source of Spectrum F-52-14959-26
Wiley ID 799756