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Bicyclo[2.2.1]hepta-2,5-diene-2-carboxylic acid, 5,6-bis(4-methoxyphenyl)-7,7-dimethyl-3-(1-oxopropyl)-, methyl ester
SpectraBase Compound ID HsPoA8DXlHV
InChI InChI=1S/C28H30O5/c1-7-20(29)23-24(27(30)33-6)26-22(17-10-14-19(32-5)15-11-17)21(25(23)28(26,2)3)16-8-12-18(31-4)13-9-16/h8-15,25-26H,7H2,1-6H3
InChIKey VKKVIHAPAVWGLP-UHFFFAOYSA-N
Mol Weight 446.54 g/mol
Molecular Formula C28H30O5
Exact Mass 446.209324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2lLtSfVDnNS
Name Bicyclo[2.2.1]hepta-2,5-diene-2-carboxylic acid, 5,6-bis(4-methoxyphenyl)-7,7-dimethyl-3-(1-oxopropyl)-, methyl ester
CAS Registry Number 90407-71-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H30O5
InChI InChI=1S/C28H30O5/c1-7-20(29)23-24(27(30)33-6)26-22(17-10-14-19(32-5)15-11-17)21(25(23)28(26,2)3)16-8-12-18(31-4)13-9-16/h8-15,25-26H,7H2,1-6H3
InChIKey VKKVIHAPAVWGLP-UHFFFAOYSA-N
Molecular Weight 446.543 g/mol
SMILES C1(=C(C2C(C1C(=C2c1ccc(cc1)OC)c1ccc(cc1)OC)(C)C)C(=O)CC)C(=O)OC
SPLASH splash10-000b-0009700000-c3ea3af67fded2864798
Source of Spectrum KC-1988-2915-18
Synonyms Methyl 5,6-bis(4-methoxyphenyl)-7,7-dimethyl-3-propionylbicyclo[2.2.1]hepta-2,5-diene-2-carboxylate
Wiley ID 1386755