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.beta.-D-Allofuranuronic acid, 5-bromo-5-deoxy-2,3-O-(1-methylethylidene)-, .epsilon.-lactone
SpectraBase Compound ID FVwV2iDPs0b
InChI InChI=1S/C9H11BrO5/c1-9(2)14-5-4-3(10)7(11)13-8(12-4)6(5)15-9/h3-6,8H,1-2H3/t3-,4-,5+,6+,8-/m0/s1
InChIKey KIHVYOOWJFFENW-ZNOPXVRYSA-N
Mol Weight 279.09 g/mol
Molecular Formula C9H11BrO5
Exact Mass 277.978986 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JngrckOiJKU
Name .beta.-D-Allofuranuronic acid, 5-bromo-5-deoxy-2,3-O-(1-methylethylidene)-, .epsilon.-lactone
CAS Registry Number 123149-52-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H11BrO5
InChI InChI=1S/C9H11BrO5/c1-9(2)14-5-4-3(10)7(11)13-8(12-4)6(5)15-9/h3-6,8H,1-2H3/t3-,4-,5+,6+,8-/m0/s1
InChIKey KIHVYOOWJFFENW-ZNOPXVRYSA-N
Molecular Weight 279.086 g/mol
SMILES [C@@]12([C@@]3([C@@](OC(O3)(C)C)([C@@](O1)(OC([C@]2(Br)[H])=O)[H])[H])[H])[H]
SPLASH splash10-0a4r-9150000000-3b863e6b1975c2230a9c
Source of Spectrum H-72-284-0
Synonyms 4,8-Epoxy-1,3-dioxolo[4,5-c]oxepin, .beta.-D-allofuranuronic acid deriv. (1R,2S,6R,7S,10S)-10-bromo-4,4-dimethyl-3,5,8,11-tetraoxatricyclo[5.3.1.0(2,6)]undecan-9-one 5-Bromo-5-deoxy-2,3-O-isopropylidene-.beta.-D-allofuranurona-6,1-lactone
Wiley ID 1281373