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trans-3-Benzenesulfonylmethyl-4-bromomethyl-5,5-diisopropyldihydro-2(3H)-furanone
SpectraBase Compound ID 2kRApKM5FuR
InChI InChI=1S/C18H25BrO4S/c1-12(2)18(13(3)4)16(10-19)15(17(20)23-18)11-24(21,22)14-8-6-5-7-9-14/h5-9,12-13,15-16H,10-11H2,1-4H3/t15-,16-/m1/s1
InChIKey BGFGVVYCXJQJSR-HZPDHXFCSA-N
Mol Weight 417.36 g/mol
Molecular Formula C18H25BrO4S
Exact Mass 416.065693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GQGVnWofgDJ
Name trans-3-Benzenesulfonylmethyl-4-bromomethyl-5,5-diisopropyldihydro-2(3H)-furanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H25BrO4S
InChI InChI=1S/C18H25BrO4S/c1-12(2)18(13(3)4)16(10-19)15(17(20)23-18)11-24(21,22)14-8-6-5-7-9-14/h5-9,12-13,15-16H,10-11H2,1-4H3/t15-,16-/m1/s1
InChIKey BGFGVVYCXJQJSR-HZPDHXFCSA-N
Molecular Weight 417.358 g/mol
SMILES C1(OC([C@@]([C@]1(CS(=O)(=O)c1ccccc1)[H])(CBr)[H])(C(C)C)C(C)C)=O
SPLASH splash10-0f6x-5790000000-6e4f579d476548e3084f
Source of Spectrum J-64-2069-3
Synonyms (3R,4R)-4-(bromomethyl)-5,5-diisopropyl-3-[(phenylsulfonyl)methyl]dihydro-2(3H)-furanone
Wiley ID 1529671