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2,2-[(2S,3R)-3-[[(4R,5S)-4-Methyl-2-oxo-5-phenyl-3-oxazolidinyl]carbonyl]-2-(3-bromopropyl)-1-oxa-1,4-butanediyl]-1,3-dithiane

View entire compound with spectra: 1 MS (GC)

2,2-[(2S,3R)-3-[[(4R,5S)-4-Methyl-2-oxo-5-phenyl-3-oxazolidinyl]carbonyl]-2-(3-bromopropyl)-1-oxa-1,4-butanediyl]-1,3-dithiane
SpectraBase Compound ID 3xC0imUfzUk
InChI InChI=1S/C21H26BrNO4S2/c1-14-18(15-7-3-2-4-8-15)26-20(25)23(14)19(24)16-13-21(28-11-6-12-29-21)27-17(16)9-5-10-22/h2-4,7-8,14,16-18H,5-6,9-13H2,1H3/t14-,16-,17+,18-/m1/s1
InChIKey KVGUYHDCPJKMGX-NRSFXHEJSA-N
Mol Weight 500.47 g/mol
Molecular Formula C21H26BrNO4S2
Exact Mass 499.048664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FKgXi0svslb
Name 2,2-[(2S,3R)-3-[[(4R,5S)-4-Methyl-2-oxo-5-phenyl-3-oxazolidinyl]carbonyl]-2-(3-bromopropyl)-1-oxa-1,4-butanediyl]-1,3-dithiane
Alternate Name(s) (4R,5S)-3-[(2R,3S)-3-(3-bromopropyl)-4-oxa-6,10-dithiaspiro[4.5]decane-2-carbonyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one (4R,5S)-3-[(2R,3S)-3-(3-bromopropyl)-4-oxa-6,10-dithiaspiro[4.5]decane-2-carbonyl]-4-methyl-5-phenyl-oxazolidin-2-one (4R,5S)-3-[[(2R,3S)-3-(3-bromanylpropyl)-4-oxa-6,10-dithiaspiro[4.5]decan-2-yl]carbonyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one (4R,5S)-3-[[(2R,3S)-3-(3-bromopropyl)-4-oxa-6,10-dithiaspiro[4.5]decan-2-yl]-oxomethyl]-4-methyl-5-phenyl-2-oxazolidinone (4R,5S)-3-{[(2S,3R)-2-(3-bromopropyl)-1-oxa-6,10-dithiaspiro[4.5]dec-3-yl]carbonyl}-4-methyl-5-phenyl-1,3-oxazolidin-2-one (4R,5S)-3-[[(2S,3R)-2-(3-bromopropyl)-1-oxa-6,10-dithiaspiro[4.5]decan-3-yl]-oxomethyl]-4-methyl-5-phenyl-2-oxazolidinone (4R,5S)-3-[(2S,3R)-2-(3-bromopropyl)-1-oxa-6,10-dithiaspiro[4.5]decane-3-carbonyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one (4R,5S)-3-[[(2S,3R)-2-(3-bromanylpropyl)-1-oxa-6,10-dithiaspiro[4.5]decan-3-yl]carbonyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
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Formula C21H26BrNO4S2
InChI InChI=1S/C21H26BrNO4S2/c1-14-18(15-7-3-2-4-8-15)26-20(25)23(14)19(24)16-13-21(28-11-6-12-29-21)27-17(16)9-5-10-22/h2-4,7-8,14,16-18H,5-6,9-13H2,1H3/t14-,16-,17+,18-/m1/s1
InChIKey KVGUYHDCPJKMGX-NRSFXHEJSA-N
Molecular Weight 500.466 g/mol
SMILES C1(N([C@@]([C@@](O1)(c1ccccc1)[H])(C)[H])C([C@]1([C@@](OC2(C1)SCCCS2)(CCCBr)[H])[H])=O)=O
SPLASH splash10-0610-7920000000-084161f842e1b990e3b9
Source of Spectrum J-58-2738-40
Wiley ID 1398696