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Methyl 1-O-(3,4-Dichlorophenyl)-2,3,4-tri-O-pivaloyl-.beta.-D-glucopyranuronate
SpectraBase Compound ID BzXc8Y8VGnA
InChI InChI=1S/C28H38Cl2O10/c1-26(2,3)23(32)38-17-18(39-24(33)27(4,5)6)20(40-25(34)28(7,8)9)22(37-19(17)21(31)35-10)36-14-11-12-15(29)16(30)13-14/h11-13,17-20,22H,1-10H3/t17-,18-,19-,20+,22+/m0/s1
InChIKey UIGCZYMGAQMQEU-YIUJWAEMSA-N
Mol Weight 605.5 g/mol
Molecular Formula C28H38Cl2O10
Exact Mass 604.184203 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Art15jFrxWo
Name Methyl 1-[O-(3',4'-dichlorophenyl)]-2,3,4-tris( O-pivaloyl)-.beta.-D-glucopyran-oronate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H38Cl2O10
InChI InChI=1S/C28H38Cl2O10/c1-26(2,3)23(32)38-17-18(39-24(33)27(4,5)6)20(40-25(34)28(7,8)9)22(37-19(17)21(31)35-10)36-14-11-12-15(29)16(30)13-14/h11-13,17-20,22H,1-10H3/t17-,18-,19-,20+,22+/m0/s1
InChIKey UIGCZYMGAQMQEU-YIUJWAEMSA-N
Molecular Weight 605.508 g/mol
SMILES [C@]1([C@@]([C@@](C(=O)OC)(O[C@]([C@@]1(OC(C(C)(C)C)=O)[H])(Oc1cc(Cl)c(cc1)Cl)[H])[H])(OC(C(C)(C)C)=O)[H])(OC(C(C)(C)C)=O)[H]
SPLASH splash10-0a4i-9110000000-deb40cde51565c366625
Source of Spectrum D9-334-102-2
Wiley ID 1550806