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2,2-[(2R,3S)-3-[[(4S)-4-(Methylethyl)-2-oxo-3-oxazolidinyl]carbonyl]-2-(3-bromopropyl)-1-oxa-1,4-butanediyl]-1,3-dithiane
SpectraBase Compound ID 6D5yQHoFfAF
InChI InChI=1S/C17H26BrNO4S2/c1-11(2)13-10-22-16(21)19(13)15(20)12-9-17(24-7-4-8-25-17)23-14(12)5-3-6-18/h11-14H,3-10H2,1-2H3/t12-,13+,14+/m0/s1
InChIKey NKONNVZZINJUMX-BFHYXJOUSA-N
Mol Weight 452.42 g/mol
Molecular Formula C17H26BrNO4S2
Exact Mass 451.048664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LRhe1NiKUks
Name 2,2-[(2R,3S)-3-[[(4S)-4-(Methylethyl)-2-oxo-3-oxazolidinyl]carbonyl]-2-(3-bromopropyl)-1-oxa-1,4-butanediyl]-1,3-dithiane
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Formula C17H26BrNO4S2
InChI InChI=1S/C17H26BrNO4S2/c1-11(2)13-10-22-16(21)19(13)15(20)12-9-17(24-7-4-8-25-17)23-14(12)5-3-6-18/h11-14H,3-10H2,1-2H3/t12-,13+,14+/m0/s1
InChIKey NKONNVZZINJUMX-BFHYXJOUSA-N
Molecular Weight 452.422 g/mol
SMILES C(N1C(OC[C@@]1(C(C)C)[H])=O)([C@@]1([C@](OC2(C1)SCCCS2)(CCCBr)[H])[H])=O
SPLASH splash10-00m0-2944400000-12bd3183afe3f2857e13
Source of Spectrum J-58-2737-40b
Wiley ID 1388098