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.beta.-D-Fructopyranosyl chloride, tetrakis(4-nitrobenzoate)
SpectraBase Compound ID 4YXTK1x1FM2
InChI InChI=1S/C34H23ClN4O17/c35-34(18-52-30(40)19-1-9-23(10-2-19)36(44)45)29(56-33(43)22-7-15-26(16-8-22)39(50)51)28(55-32(42)21-5-13-25(14-6-21)38(48)49)27(17-53-34)54-31(41)20-3-11-24(12-4-20)37(46)47/h1-16,27-29H,17-18H2/t27-,28-,29+,34-/m1/s1
InChIKey DEDRHDAJFILLTM-DYKCOLQBSA-N
Mol Weight 795.0 g/mol
Molecular Formula C34H23ClN4O17
Exact Mass 794.074673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4QRKiCAQtie
Name .beta.-D-Fructopyranosyl chloride, tetrakis(4-nitrobenzoate)
Alternate Name(s) 1,3,4,5-Tetrakis(o-p-nitrobenzoyl)-.beta.-D-fructpyranosylchloride 1,3,4,5-tetrakis-O-(4-nitrobenzoyl)-.beta.-D-arabino-hex-2-ulopyranosyl chloride
CAS Registry Number 70551-20-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H23ClN4O17
InChI InChI=1S/C34H23ClN4O17/c35-34(18-52-30(40)19-1-9-23(10-2-19)36(44)45)29(56-33(43)22-7-15-26(16-8-22)39(50)51)28(55-32(42)21-5-13-25(14-6-21)38(48)49)27(17-53-34)54-31(41)20-3-11-24(12-4-20)37(46)47/h1-16,27-29H,17-18H2/t27-,28-,29+,34-/m1/s1
InChIKey DEDRHDAJFILLTM-DYKCOLQBSA-N
Molecular Weight 795.022 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)Cl)[H])[H])(OC(c1ccc(N(=O)=O)cc1)=O)[H]
SPLASH splash10-014r-9700000000-c0f465a84c86086e7785
Source of Spectrum H-62-384-0
Wiley ID 1417076