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.alpha.-D-arabino-2-Heptulopyranosidonic acid, methyl 7-bromo-3,7-dideoxy-, methyl ester, diacetate
SpectraBase Compound ID 81I92jA7mti
InChI InChI=1S/C13H19BrO8/c1-7(15)20-10-9(5-14)22-13(18,11(17)19-4)6-12(10,3)21-8(2)16/h9-10,18H,5-6H2,1-4H3/t9-,10-,12-,13-/m1/s1
InChIKey QGCVIGBHPATAIR-FPQZTECRSA-N
Mol Weight 383.19 g/mol
Molecular Formula C13H19BrO8
Exact Mass 382.026331 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fyyi0Wa6aC9
Name .alpha.-D-arabino-2-Heptulopyranosidonic acid, methyl 7-bromo-3,7-dideoxy-, methyl ester, diacetate
CAS Registry Number 105103-73-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H19BrO8
InChI InChI=1S/C13H19BrO8/c1-7(15)20-10-9(5-14)22-13(18,11(17)19-4)6-12(10,3)21-8(2)16/h9-10,18H,5-6H2,1-4H3/t9-,10-,12-,13-/m1/s1
InChIKey QGCVIGBHPATAIR-FPQZTECRSA-N
Molecular Weight 383.191 g/mol
SMILES O[C@@]1(C[C@](OC(=O)C)(C)[C@@]([C@](O1)(CBr)[H])(OC(=O)C)[H])C(=O)OC
SPLASH splash10-0zor-0094000000-5a587f7c6f9ae5050bfc
Source of Spectrum C-108-8014-11
Synonyms Methyl 4,5-di-O-acetyl-7-bromo-3,7-dideoxy-4-C-methyl-.alpha.-D-arabino-hept-2-ulopyranosonate
Wiley ID 1360348