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Dimethyl (1aR,2S,2aS,5aR,6R,6aS)-3,5-dioxo-1a,2,2a,3,5,5a,6,6a-octahydro-2,6-ethenooxireno[2,3-f]isobenzofuran-7,8-dicarboxylate-2a,5a-d2

View entire compound with spectra: 1 MS (GC)

Dimethyl (1aR,2S,2aS,5aR,6R,6aS)-3,5-dioxo-1a,2,2a,3,5,5a,6,6a-octahydro-2,6-ethenooxireno[2,3-f]isobenzofuran-7,8-dicarboxylate-2a,5a-d2
SpectraBase Compound ID HEOKeEdBg6P
InChI InChI=1S/C14H12O8/c1-19-11(15)5-3-7-8(14(18)22-13(7)17)4(10-9(3)21-10)6(5)12(16)20-2/h3-4,7-10H,1-2H3/t3-,4+,7+,8-,9-,10+/i7D,8D
InChIKey XNSVGPDITLKIFU-GBTGIVOUSA-N
Mol Weight 310.25 g/mol
Molecular Formula C14H10D2O8
Exact Mass 310.065771 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6yGwwVJCPTv
Name Dimethyl (1aR,2S,2aS,5aR,6R,6aS)-3,5-dioxo-1a,2,2a,3,5,5a,6,6a-octahydro-2,6-ethenooxireno[2,3-f]isobenzofuran-7,8-dicarboxylate-2a,5a-d2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H10D2O8
InChI InChI=1S/C14H12O8/c1-19-11(15)5-3-7-8(14(18)22-13(7)17)4(10-9(3)21-10)6(5)12(16)20-2/h3-4,7-10H,1-2H3/t3-,4+,7+,8-,9-,10+/i7D,8D
InChIKey XNSVGPDITLKIFU-GBTGIVOUSA-N
Literature Reference DOI 10.1002/hlca.19710540823
Molecular Weight 310.254 g/mol
SMILES COC(=O)C=1[C@]2([C@]3(C(=O)OC([C@]3([C@@](C1C(OC)=O)([C@]1(O[C@@]21[H])[H])[H])[D])=O)[D])[H]
SPLASH splash10-05r0-4960000000-2f21c056d1be9a5c65c0
Source of Spectrum H-54-2599-30b(29b)
Wiley ID 1799897