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1-[(Benzyloxy)imino]-4-o-acetyl-5,6-dideoxy-2,3-o-isopyopylidene-D-allo-hex-5-yne
SpectraBase Compound ID DcqDBIL47zf
InChI InChI=1S/C18H21NO5/c1-5-15(22-13(2)20)17-16(23-18(3,4)24-17)11-19-21-12-14-9-7-6-8-10-14/h1,6-11,15-17H,12H2,2-4H3/b19-11+/t15-,16+,17-/m1/s1
InChIKey UMYDSUWDSKCVHH-WTFVRGDPSA-N
Mol Weight 331.37 g/mol
Molecular Formula C18H21NO5
Exact Mass 331.141973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6NajlHcXEV6
Name 1-[(Benzyloxy)imino]-4-O-acetyl-5,6-dideoxy-2,3-O-isopyopylidene-D-allo-hex-5-yne
Comments Less than 3 mono-isotopic peaks
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Formula C18H21NO5
InChI InChI=1S/C18H21NO5/c1-5-15(22-13(2)20)17-16(23-18(3,4)24-17)11-19-21-12-14-9-7-6-8-10-14/h1,6-11,15-17H,12H2,2-4H3/b19-11+/t15-,16+,17-/m1/s1
InChIKey UMYDSUWDSKCVHH-WTFVRGDPSA-N
Molecular Weight 331.368 g/mol
SMILES [C@@]1([C@@](OC(O1)(C)C)(\C=N\OCc1ccccc1)[H])([C@@](C#C)(OC(=O)C)[H])[H]
SPLASH splash10-0006-9000000000-5788114cb6e910e5096d
Source of Spectrum J-61-1359-7
Synonyms 1-{5-[(1E)-[(benzyloxy)imino]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl}prop-2-yn-1-yl acetate acetic acid [(1R)-1-[(4R,5S)-2,2-dimethyl-5-[(E)-phenylmethoxyiminomethyl]-1,3-dioxolan-4-yl]prop-2-ynyl] ester [(1R)-1-[(4R,5S)-2,2-dimethyl-5-[(E)-phenylmethoxyiminomethyl]-1,3-dioxolan-4-yl]prop-2-ynyl] acetate [(1R)-1-[(4R,5S)-5-[(E)-benzyloxyiminomethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-ynyl] acetate [(1R)-1-[(4R,5S)-2,2-dimethyl-5-[(E)-phenylmethoxyiminomethyl]-1,3-dioxolan-4-yl]prop-2-ynyl] ethanoate
Wiley ID 1328709