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(3R,4R)-3-(bromomethyl)-4-[(4-methylphenyl)sulfonylmethyl]sulfolane
SpectraBase Compound ID LFzfh27DZfY
InChI InChI=1S/C13H17BrO4S2/c1-10-2-4-13(5-3-10)20(17,18)9-12-8-19(15,16)7-11(12)6-14/h2-5,11-12H,6-9H2,1H3/t11-,12+/m0/s1
InChIKey JOXKSOSBQMESSX-NWDGAFQWSA-N
Mol Weight 381.3 g/mol
Molecular Formula C13H17BrO4S2
Exact Mass 379.975164 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID YZpjuLwCrb
Name (3R,4R)-3-(bromomethyl)-4-(p-tolylsulfonylmethyl)thiolane 1,1-dioxide
CAS Registry Number 129110-93-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17BrO4S2
InChI InChI=1S/C13H17BrO4S2/c1-10-2-4-13(5-3-10)20(17,18)9-12-8-19(15,16)7-11(12)6-14/h2-5,11-12H,6-9H2,1H3/t11-,12+/m0/s1
InChIKey JOXKSOSBQMESSX-NWDGAFQWSA-N
Molecular Weight 381.299 g/mol
SMILES C1S(C[C@@]([C@]1(CS(c1ccc(cc1)C)(=O)=O)[H])(CBr)[H])(=O)=O
SPLASH splash10-0006-9300000000-d989f2882050a6080603
Source of Spectrum F-46-3066-2
Synonyms (3R,4R)-3-(bromomethyl)-4-(tosylmethyl)sulfolane (3R,4R)-3-(bromomethyl)-4-[(4-methylphenyl)sulfonylmethyl]thiolane 1,1-dioxide
Wiley ID 1359459