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(3R,4S)-3-(bromomethyl)-4-(p-tolylsulfonylmethyl)tetrahydrothiophene
SpectraBase Compound ID 8SY8or4YSSy
InChI InChI=1S/C13H17BrO2S2/c1-10-2-4-13(5-3-10)18(15,16)9-12-8-17-7-11(12)6-14/h2-5,11-12H,6-9H2,1H3/t11-,12-/m0/s1
InChIKey BXVADRDCAKICMK-RYUDHWBXSA-N
Mol Weight 349.3 g/mol
Molecular Formula C13H17BrO2S2
Exact Mass 347.985335 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Huev6gJR0zt
Name (3R,4S)-3-(bromomethyl)-4-(p-tolylsulfonylmethyl)tetrahydrothiophene
Alternate Name(s) (3R,4S)-3-(bromomethyl)-4-(tosylmethyl)tetrahydrothiophene (3R,4S)-3-(bromomethyl)-4-[(4-methylphenyl)sulfonylmethyl]thiolane
CAS Registry Number 129110-90-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17BrO2S2
InChI InChI=1S/C13H17BrO2S2/c1-10-2-4-13(5-3-10)18(15,16)9-12-8-17-7-11(12)6-14/h2-5,11-12H,6-9H2,1H3/t11-,12-/m0/s1
InChIKey BXVADRDCAKICMK-RYUDHWBXSA-N
Molecular Weight 349.301 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)[C@]1([C@](CSC1)(CBr)[H])[H]
SPLASH splash10-01ox-9600000000-0a006e80fd07fb752ffc
Source of Spectrum F-46-3065-2
Wiley ID 1340270