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5-Methyl-1-(1,2,3,4,5-penta-O-acetyl-D-manno-pentitol-1-yl)-3-phenyl-1H-1,2,4-triazole
SpectraBase Compound ID JuYtu4KBjz0
InChI InChI=1S/C24H29N3O10/c1-13-25-23(19-10-8-7-9-11-19)26-27(13)24(37-18(6)32)22(36-17(5)31)21(35-16(4)30)20(34-15(3)29)12-33-14(2)28/h7-11,20-22,24H,12H2,1-6H3/t20-,21-,22+,24+/m1/s1
InChIKey COHXCOZNDBMWFL-SVPADUAOSA-N
Mol Weight 519.51 g/mol
Molecular Formula C24H29N3O10
Exact Mass 519.185294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GYhzO5nN9vd
Name 5-Methyl-1-(1,2,3,4,5-penta-O-acetyl-D-manno-pentitol-1-yl)-3-phenyl-1H-1,2,4-triazole
Alternate Name(s) (1S)-1,2,3,4,5-penta-O-acetyl-1-C-(5-methyl-3-phenyl-1H-1,2,4-triazol-1-yl)-D-arabinitol 5-Methyl-1-(1,2,3,4,5-penta-O-acetyl-D-manno-pentitol-1-yl)-3-phenyl-1H-1m,2,4-triazole
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Formula C24H29N3O10
InChI InChI=1S/C24H29N3O10/c1-13-25-23(19-10-8-7-9-11-19)26-27(13)24(37-18(6)32)22(36-17(5)31)21(35-16(4)30)20(34-15(3)29)12-33-14(2)28/h7-11,20-22,24H,12H2,1-6H3/t20-,21-,22+,24+/m1/s1
InChIKey COHXCOZNDBMWFL-SVPADUAOSA-N
Molecular Weight 519.507 g/mol
SMILES [C@]([n]1nc(-c2ccccc2)nc1C)([C@]([C@@]([C@](OC(=O)C)(COC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H]
SPLASH splash10-0670-0432490000-96528fe8fd0c4ded53f6
Source of Spectrum KC-0-833-13
Wiley ID 830165