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Cyclobuta[l]phenanthrene-1,2-dicarboxylic acid, 1,2,2a,10b-tetrahydro-, dimethyl ester, (1.alpha.,2.alpha.,2a.alpha.,10b.alpha.)-
SpectraBase Compound ID J3fipl8ahre
InChI InChI=1S/C20H18O4/c1-23-19(21)17-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)16(15)18(17)20(22)24-2/h3-10,15-18H,1-2H3/t15-,16+,17+,18-
InChIKey GPVHXXSXMYLPDK-FZDBZEDMSA-N
Mol Weight 322.36 g/mol
Molecular Formula C20H18O4
Exact Mass 322.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4oXd9p3fK62
Name Cyclobuta[l]phenanthrene-1,2-dicarboxylic acid, 1,2,2a,10b-tetrahydro-, dimethyl ester, (1.alpha.,2.alpha.,2a.alpha.,10b.alpha.)-
Alternate Name(s) Dimethyl (1R,2S,2aR,10bS)-1,2,2a,10b-tetrahydrocyclobuta[l]phenanthrene-1,2-dicarboxylate trans-dimethyl 1,2,2a,10b-tetrahydrocyclobuta-(I)phenanthrene-1,2-dicarboxylate
CAS Registry Number 40755-80-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18O4
InChI InChI=1S/C20H18O4/c1-23-19(21)17-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)16(15)18(17)20(22)24-2/h3-10,15-18H,1-2H3/t15-,16+,17+,18-
InChIKey GPVHXXSXMYLPDK-FZDBZEDMSA-N
Molecular Weight 322.360 g/mol
SMILES [C@]12([C@@](c3ccccc3-c3c2cccc3)([H])[C@]([C@]1(C(=O)OC)[H])(C(=O)OC)[H])[H]
SPLASH splash10-004i-0900000000-ccc692f543969503fcb1
Source of Spectrum C-97-3701-0
Wiley ID 1321884