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Methyl 2,3,5-tris-O-(4-nitrobenzoyl)pentofuranoside
SpectraBase Compound ID 3dn1QOMDzKR
InChI InChI=1S/C27H21N3O14/c1-40-27-23(44-26(33)17-6-12-20(13-7-17)30(38)39)22(43-25(32)16-4-10-19(11-5-16)29(36)37)21(42-27)14-41-24(31)15-2-8-18(9-3-15)28(34)35/h2-13,21-23,27H,14H2,1H3
InChIKey RCDDBRDIWPULRI-UHFFFAOYSA-N
Mol Weight 611.47 g/mol
Molecular Formula C27H21N3O14
Exact Mass 611.102352 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 86IMIKLcGoa
Name Methyl 2,3,5-tris-O-(4-nitrobenzoyl)pentofuranoside
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Formula C27H21N3O14
InChI InChI=1S/C27H21N3O14/c1-40-27-23(44-26(33)17-6-12-20(13-7-17)30(38)39)22(43-25(32)16-4-10-19(11-5-16)29(36)37)21(42-27)14-41-24(31)15-2-8-18(9-3-15)28(34)35/h2-13,21-23,27H,14H2,1H3
InChIKey RCDDBRDIWPULRI-UHFFFAOYSA-N
Molecular Weight 611.472 g/mol
SMILES c1cc(ccc1C(OCC1C(OC(c2ccc(N(=O)=O)cc2)=O)C(OC(c2ccc(cc2)N(=O)=O)=O)C(O1)OC)=O)N(=O)=O
SPLASH splash10-0udi-5900000000-835b7e476b88bf112780
Source of Spectrum NP-16-1191-0
Synonyms Methyl 2,3,5-O-[p-nitrobenzoyl]-.beta.-d-xylofuranoside 4-Nitrobenzoic acid [5-methoxy-3,4-bis[(4-nitrophenyl)-oxomethoxy]-2-oxolanyl]methyl ester [5-methoxy-3,4-bis[(4-nitrobenzoyl)oxy]oxolan-2-yl]methyl 4-nitrobenzoate [5-methoxy-3,4-bis[(4-nitrobenzoyl)oxy]tetrahydrofuran-2-yl]methyl 4-nitrobenzoate [5-methoxy-3,4-bis[(4-nitrophenyl)carbonyloxy]oxolan-2-yl]methyl 4-nitrobenzoate
Wiley ID 1113187