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1,2-Heptalenedicarboxylic acid, 8-(1,1-dimethylethyl)-5,6,10-trimethyl-, 1-methyl ester, (.+-.)-
SpectraBase Compound ID 31WaLnYjPUM
InChI InChI=1S/C22H26O4/c1-12-8-9-16(20(23)24)19(21(25)26-7)18-14(3)11-15(22(4,5)6)10-13(2)17(12)18/h8-11H,1-7H3,(H,23,24)
InChIKey PIWWLSATFBVRFZ-UHFFFAOYSA-N
Mol Weight 354.45 g/mol
Molecular Formula C22H26O4
Exact Mass 354.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 64N2s8a7J1d
Name 1,2-Heptalenedicarboxylic acid, 8-(1,1-dimethylethyl)-5,6,10-trimethyl-, 1-methyl ester, (.+-.)-
CAS Registry Number 115401-15-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26O4
InChI InChI=1S/C22H26O4/c1-12-8-9-16(20(23)24)19(21(25)26-7)18-14(3)11-15(22(4,5)6)10-13(2)17(12)18/h8-11H,1-7H3,(H,23,24)
InChIKey PIWWLSATFBVRFZ-UHFFFAOYSA-N
Molecular Weight 354.446 g/mol
SMILES OC(C=1C(=C2C(=C(C=C(C=C2C)C(C)(C)C)C)C(=CC1)C)C(=O)OC)=O
SPLASH splash10-0fkc-0049000000-4dd1965fd3b3d93eea0f
Source of Spectrum H-70-1456-13
Synonyms 13-(t-butyl)-1-(methoxycarbonyl)-9,11,15-trimethylheptalene-2-carboxylic acid 8-tert-Butyl-1-(methoxycarbonyl)-5,6,10-trimethyl-2-heptalenecarboxylic acid
Wiley ID 1344858