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Bicyclo[2.2.1]hepta-2,5-diene-2-carboxylic acid, 1,4-dimethyl-3-(1-oxopropyl)-5,6-diphenyl-, methyl ester
SpectraBase Compound ID 9uHiZfYTZ9F
InChI InChI=1S/C26H26O3/c1-5-19(27)22-23(24(28)29-4)26(3)16-25(22,2)20(17-12-8-6-9-13-17)21(26)18-14-10-7-11-15-18/h6-15H,5,16H2,1-4H3/t25-,26-/m0/s1
InChIKey MQMNQGAQTSYVTQ-UIOOFZCWSA-N
Mol Weight 386.49 g/mol
Molecular Formula C26H26O3
Exact Mass 386.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3fBAgcb9fOJ
Name Bicyclo[2.2.1]hepta-2,5-diene-2-carboxylic acid, 1,4-dimethyl-3-(1-oxopropyl)-5,6-diphenyl-, methyl ester
CAS Registry Number 90407-81-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H26O3
InChI InChI=1S/C26H26O3/c1-5-19(27)22-23(24(28)29-4)26(3)16-25(22,2)20(17-12-8-6-9-13-17)21(26)18-14-10-7-11-15-18/h6-15H,5,16H2,1-4H3/t25-,26-/m0/s1
InChIKey MQMNQGAQTSYVTQ-UIOOFZCWSA-N
Molecular Weight 386.491 g/mol
SMILES [C@]12(C(=C(C(=O)CC)[C@](C2)(C)C(=C1c1ccccc1)c1ccccc1)C(=O)OC)C
SPLASH splash10-004i-0809000000-8fb5379143f4694163b4
Source of Spectrum KC-1988-2915-19
Synonyms Methyl 1,4-dimethyl-5,6-diphenyl-3-propionylbicyclo[2.2.1]hepta-2,5-diene-2-carboxylate
Wiley ID 1362942