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.alpha.-D-Fructopyranoside, methyl, tetrakis(4-nitrobenzoate)
SpectraBase Compound ID 70KFT7kkCs8
InChI InChI=1S/C35H26N4O18/c1-52-35(19-53-31(40)20-2-10-24(11-3-20)36(44)45)30(57-34(43)23-8-16-27(17-9-23)39(50)51)29(56-33(42)22-6-14-26(15-7-22)38(48)49)28(18-54-35)55-32(41)21-4-12-25(13-5-21)37(46)47/h2-17,28-30H,18-19H2,1H3/t28-,29-,30+,35+/m1/s1
InChIKey GPOFYJOPDNEYFG-CBTPHDETSA-N
Mol Weight 790.6 g/mol
Molecular Formula C35H26N4O18
Exact Mass 790.12421 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KQpCpWcpwsO
Name .alpha.-D-Fructopyranoside, methyl, tetrakis(4-nitrobenzoate)
CAS Registry Number 70573-36-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H26N4O18
InChI InChI=1S/C35H26N4O18/c1-52-35(19-53-31(40)20-2-10-24(11-3-20)36(44)45)30(57-34(43)23-8-16-27(17-9-23)39(50)51)29(56-33(42)22-6-14-26(15-7-22)38(48)49)28(18-54-35)55-32(41)21-4-12-25(13-5-21)37(46)47/h2-17,28-30H,18-19H2,1H3/t28-,29-,30+,35+/m1/s1
InChIKey GPOFYJOPDNEYFG-CBTPHDETSA-N
Molecular Weight 790.603 g/mol
SMILES [C@]1([C@](OC(c2ccc(N(=O)=O)cc2)=O)([C@](OC(c2ccc(N(=O)=O)cc2)=O)(CO[C@]1(COC(c1ccc(N(=O)=O)cc1)=O)OC)[H])[H])(OC(c1ccc(N(=O)=O)cc1)=O)[H]
SPLASH splash10-0gbc-7910000000-dca6372cc1c37110a834
Source of Spectrum H-62-385-0
Synonyms Methyl 1,3,4,5-tetrakis-O-(4-nitrobenzoyl)-.alpha.-D-arabino-hex-2-ulopyranoside Methyl-1,3,4,5-tetrakis(o-p-nitrobenzoyl)-.alpha.-D-fructopyranoside
Wiley ID 1417022