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Methyl 3-O-Benzyl-5,6-dideoxy-2-O-methyl-.beta.-D-ribo-hex-5-ynofuranoside
SpectraBase Compound ID DcBKZ8H1rBB
InChI InChI=1S/C15H18O4/c1-4-12-13(14(16-2)15(17-3)19-12)18-10-11-8-6-5-7-9-11/h1,5-9,12-15H,10H2,2-3H3/t12-,13-,14-,15-/m1/s1
InChIKey UVQHIRHFZGEOLL-KBUPBQIOSA-N
Mol Weight 262.3 g/mol
Molecular Formula C15H18O4
Exact Mass 262.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lq4dyuPkkp5
Name Methyl 3-O-Benzyl-5,6-dideoxy-2-O-methyl-.beta.-D-ribo-hex-5-ynofuranoside
Appearance Colorless oil
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Exact Mass 262.120509056 u
Formula C15H18O4
InChI InChI=1S/C15H18O4/c1-4-12-13(14(16-2)15(17-3)19-12)18-10-11-8-6-5-7-9-11/h1,5-9,12-15H,10H2,2-3H3/t12-,13-,14-,15-/m1/s1
InChIKey UVQHIRHFZGEOLL-KBUPBQIOSA-N
Instrument Name Micromass AutoSpec Ultima
Ionization Type EI
Literature Reference DOI 10.1002/chem.201405764
Molecular Weight 262.305 g/mol
Optical Rotation [a]D25 = -53.3 (c = 1.0, CHCl3)
Quality 62
SMILES [C@]1([C@@]([C@@]([C@](O1)(C#C)[H])(OCC1=CC=CC=C1)[H])(OC)[H])(OC)[H]
SPLASH splash10-0006-9000000000-7d76e3ae363794b8e270
Source of Spectrum QE-21-SM20-8b (DOI: 10.1002/chem.201405764)
Thin-Layer Chromatography 0.24 (SiO2, CH2Cl2)
Wiley ID 1910163