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Dimethyl ester of trans-5,6-dihydrodibenzo[a,e]cyclooctene-5,6-dicarboxylic acid
SpectraBase Compound ID 2ojT9f84vGH
InChI InChI=1S/C20H18O4/c1-23-19(21)17-15-9-5-3-7-13(15)11-12-14-8-4-6-10-16(14)18(17)20(22)24-2/h3-12,17-18H,1-2H3/b12-11-/t17-,18-/m0/s1
InChIKey GSWZLABHBYWFDX-NJYOSPNCSA-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 3u3Li0UNQ5Y
Name Dimethyl ester of trans-5,6-dihydrodibenzo[a,e]cyclooctene-5,6-dicarboxylic acid
Alternate Name(s) Dimethyl (5R,6R)-5,6-dihydrodibenzo[a,e]cyclooctene-5,6-dicarboxylate
CAS Registry Number 71837-34-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18O4
InChI InChI=1S/C20H18O4/c1-23-19(21)17-15-9-5-3-7-13(15)11-12-14-8-4-6-10-16(14)18(17)20(22)24-2/h3-12,17-18H,1-2H3/b12-11-/t17-,18-/m0/s1
InChIKey GSWZLABHBYWFDX-NJYOSPNCSA-N
Molecular Weight 322.360 g/mol
SMILES [C@@]1([C@](c2c(cccc2)\C=C/c2c1cccc2)(C(=O)OC)[H])(C(=O)OC)[H]
SPLASH splash10-0ik9-0091000000-e20f6d2b292b830e6448
Source of Spectrum J-44-4480-0
Wiley ID 1321892