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2-[4',5'-bis(Methoxycarbonyl)-1',2',3'-triazol-1'-yl]-3,4,5-tris(benzoyloxy)-tetrahydrofuran
SpectraBase Compound ID IUWjNw0eQrN
InChI InChI=1S/C33H29N3O11/c1-42-25(37)18-23-26(33(41)43-2)34-35-36(23)29-28(47-32(40)22-16-10-5-11-17-22)27(46-31(39)21-14-8-4-9-15-21)24(45-29)19-44-30(38)20-12-6-3-7-13-20/h3-17,24,27-29H,18-19H2,1-2H3
InChIKey AXSUHJNCKRBXRU-UHFFFAOYSA-N
Mol Weight 643.6 g/mol
Molecular Formula C33H29N3O11
Exact Mass 643.180209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hwzw9NjobaZ
Name 2-[4',5'-bis(Methoxycarbonyl)-1',2',3'-triazol-1'-yl]-3,4,5-tris(benzoyloxy)-tetrahydrofuran
Alternate Name(s) Methyl 5-methoxycarbonylmethyl-1-[D-2,3,6-(tribenzoyloxy)glycosyl]-1,2,3-triazole-4-carboxylate 2-[4',5'-bis(Methoxycarbonyl)-1',2',3'-triazin-1'-yl]-3,4,5-tris(benzoyloxy)-tetrahydrofuran Methyl 1-[3,4-bis(benzoyloxy)-5-[(benzoyloxy)methyl]oxolan-2-yl]-5-(2-methoxy-2-oxoethyl)-1H-1,2,3-triazole-4-carboxylate
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Formula C33H29N3O11
InChI InChI=1S/C33H29N3O11/c1-42-25(37)18-23-26(33(41)43-2)34-35-36(23)29-28(47-32(40)22-16-10-5-11-17-22)27(46-31(39)21-14-8-4-9-15-21)24(45-29)19-44-30(38)20-12-6-3-7-13-20/h3-17,24,27-29H,18-19H2,1-2H3
InChIKey AXSUHJNCKRBXRU-UHFFFAOYSA-N
Molecular Weight 643.605 g/mol
SMILES c1([n](nnc1C(=O)OC)C1C(C(OC(=O)c2ccccc2)C(O1)COC(=O)c1ccccc1)OC(=O)c1ccccc1)CC(=O)OC
SPLASH splash10-0a4i-0900000000-7755d4d25c9e3fa893e3
Source of Spectrum D1-1999-1073-2
Wiley ID 835381