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(4S,5R,6R,7R,8R)-N(5)-Acetyl-4,5-O,N-isopropylidene-6,7,8,9-di-O-isopropylidene-1-nonynyl bromide
SpectraBase Compound ID Gc164XTI0RM
InChI InChI=1S/C20H30BrNO6/c1-12(23)22-15(13(9-8-10-21)25-18(22,2)3)17-16(27-20(6,7)28-17)14-11-24-19(4,5)26-14/h13-17H,9,11H2,1-7H3/t13-,14+,15+,16+,17+/m0/s1
InChIKey PWUHSJGKXMGSJI-MZBWOGCUSA-N
Mol Weight 460.37 g/mol
Molecular Formula C20H30BrNO6
Exact Mass 459.125651 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K0k4hhlejUq
Name (4S,5R,6R,7R,8R)-N(5)-Acetyl-4,5-O,N-isopropylidene-6,7,8,9-di-O-isopropylidene-1-nonynyl bromide
Alternate Name(s) 1-[(4R,5S)-5-(3-bromoprop-2-ynyl)-4-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3-oxazolidinyl]ethanone 1-[(4R,5S)-5-(3-bromoprop-2-ynyl)-4-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone 1-[(4R,5S)-5-(3-bromanylprop-2-ynyl)-4-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone
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Formula C20H30BrNO6
InChI InChI=1S/C20H30BrNO6/c1-12(23)22-15(13(9-8-10-21)25-18(22,2)3)17-16(27-20(6,7)28-17)14-11-24-19(4,5)26-14/h13-17H,9,11H2,1-7H3/t13-,14+,15+,16+,17+/m0/s1
InChIKey PWUHSJGKXMGSJI-MZBWOGCUSA-N
Molecular Weight 460.365 g/mol
SMILES [C@@]1(N(C(O[C@]1(CC#CBr)[H])(C)C)C(=O)C)([C@@]1([C@@]([C@@]2(OC(C)(C)OC2)[H])(OC(O1)(C)C)[H])[H])[H]
SPLASH splash10-0006-7002900000-d654fb4d6e7e80bca1ff
Source of Spectrum J-67-6763-26
Wiley ID 1570921