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Cyclopenta[c]pyran-3,5-dicarboxylic acid, 6-(acetyloxy)-4-bromooctahydro-1-oxo-, dimethyl ester
SpectraBase Compound ID AMIMbEfpZm4
InChI InChI=1S/C14H17BrO8/c1-5(16)22-7-4-6-8(9(7)13(18)20-2)10(15)11(14(19)21-3)23-12(6)17/h6-11H,4H2,1-3H3
InChIKey SBVWAVZFFJVMHJ-UHFFFAOYSA-N
Mol Weight 393.19 g/mol
Molecular Formula C14H17BrO8
Exact Mass 392.01068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IBYZP22rJgg
Name Cyclopenta[c]pyran-3,5-dicarboxylic acid, 6-(acetyloxy)-4-bromooctahydro-1-oxo-, dimethyl ester
Alternate Name(s) 2,3,3a,6,7,7a-hexahydro-2-acetoxy-7-bromo-1,6-bis(methoxycarbonyl)-4-oxo-4H-5-oxaindene Dimethyl 6-(acetyloxy)-4-bromo-1-oxooctahydrocyclopenta[c]pyran-3,5-dicarboxylate
CAS Registry Number 123993-49-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17BrO8
InChI InChI=1S/C14H17BrO8/c1-5(16)22-7-4-6-8(9(7)13(18)20-2)10(15)11(14(19)21-3)23-12(6)17/h6-11H,4H2,1-3H3
InChIKey SBVWAVZFFJVMHJ-UHFFFAOYSA-N
Molecular Weight 393.186 g/mol
SMILES C1(OC(=O)C2C(C1Br)C(C(OC(=O)C)C2)C(=O)OC)C(=O)OC
SPLASH splash10-0006-9030000000-fde8bc7133275fee00da
Source of Spectrum J-55-110-27
Wiley ID 1365548