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Tetramethyl (1.alpha.,4.alpha.,5.alpha.,6.alpha.,7.alpha.,10.alpha.,11.alpha.,12.alpha.)-dibenzo[b,h]tricyclo[8.2.0.0(4,7)]dodecane-5,6,11,12-tetracarboxylate
SpectraBase Compound ID WVHyjnRLPV
InChI InChI=1S/C28H28O8/c1-33-25(29)21-17-13-9-5-6-10-14(13)19-20(24(28(32)36-4)23(19)27(31)35-3)16-12-8-7-11-15(16)18(17)22(21)26(30)34-2/h5-12,17-24H,1-4H3/t17-,18+,19+,20-,21+,22-,23-,24+
InChIKey FYNMIIZBZDGSBE-GIUPPLFVSA-N
Mol Weight 492.52 g/mol
Molecular Formula C28H28O8
Exact Mass 492.178418 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G9cZ9y2dUsa
Name Tetramethyl (1.alpha.,4.alpha.,5.alpha.,6.alpha.,7.alpha.,10.alpha.,11.alpha.,12.alpha.)-dibenzo[b,h]tricyclo[8.2.0.0(4,7)]dodecane-5,6,11,12-tetracarboxylate
CAS Registry Number 115984-42-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H28O8
InChI InChI=1S/C28H28O8/c1-33-25(29)21-17-13-9-5-6-10-14(13)19-20(24(28(32)36-4)23(19)27(31)35-3)16-12-8-7-11-15(16)18(17)22(21)26(30)34-2/h5-12,17-24H,1-4H3/t17-,18+,19+,20-,21+,22-,23-,24+
InChIKey FYNMIIZBZDGSBE-GIUPPLFVSA-N
Molecular Weight 492.524 g/mol
SMILES [C@@]12([C@@](c3c(cccc3)[C@@]3([C@](c4c1cccc4)([C@@](C(=O)OC)([C@]3(C(=O)OC)[H])[H])[H])[H])([H])[C@]([C@]2(C(=O)OC)[H])(C(=O)OC)[H])[H]
SPLASH splash10-000i-1900200000-924bd6255afcbd2b5345
Source of Spectrum K-121-2143-14
Synonyms Tetramethyl (1R,2S,2aR,6bS,7R,8S,8aR,12bS)-1,2,2a,6b,7,8,8a,12b-octahydrodibenzo[a,e]dicyclobuta[c,g]cyclooctene-1,2,7,8-tetracarboxylate
Wiley ID 1397581