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Cyclobuta[l]phenanthrene-1,2-dicarboxylic acid, 1,2,2a,10b-tetrahydro-,dimethyl ester, (1.alpha.,2.beta.,2a.alpha.,10b.alpha.)-
SpectraBase Compound ID 1lZVffglIg3
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-/m1/s1
InChIKey GPVHXXSXMYLPDK-XMTFNYHQSA-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 8Ju6IzVHYLX
Name Cyclobuta[l]phenanthrene-1,2-dicarboxylic acid, 1,2,2a,10b-tetrahydro-,dimethyl ester, (1.alpha.,2.beta.,2a.alpha.,10b.alpha.)-
CAS Registry Number 40755-81-5
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-/m1/s1
InChIKey GPVHXXSXMYLPDK-XMTFNYHQSA-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-0910000000-05b9250d88c2d65be0d5
Source of Spectrum C-97-3701-0
Synonyms cis-dimethyl 1,2,2a,10b-tetrahydrocyclo-buta(I)phenanthrene-1,2-dicarboxylate Dimethyl (1R,2R,2aR,10bS)-1,2,2a,10b-tetrahydrocyclobuta[l]phenanthrene-1,2-dicarboxylate
Wiley ID 1321885