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3,5-Hexadienoic acid, 3-methyl-6-(4,5,6,7-tetrahydro-1,1,4,4-tetramethyl-1H-inden-2-yl)-, methyl ester, (E,E)-
SpectraBase Compound ID JOXXbaoKpHs
InChI InChI=1S/C21H30O2/c1-15(13-19(22)23-6)9-7-10-16-14-18-17(21(16,4)5)11-8-12-20(18,2)3/h7,9-10,14H,8,11-13H2,1-6H3/b10-7+,15-9+
InChIKey KORKNAJBVWHNFJ-YIGYUFJTSA-N
Mol Weight 314.47 g/mol
Molecular Formula C21H30O2
Exact Mass 314.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GgHzcaVbXwt
Name 3,5-Hexadienoic acid, 3-methyl-6-(4,5,6,7-tetrahydro-1,1,4,4-tetramethyl-1H-inden-2-yl)-, methyl ester, (E,E)-
CAS Registry Number 80050-20-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O2
InChI InChI=1S/C21H30O2/c1-15(13-19(22)23-6)9-7-10-16-14-18-17(21(16,4)5)11-8-12-20(18,2)3/h7,9-10,14H,8,11-13H2,1-6H3/b10-7+,15-9+
InChIKey KORKNAJBVWHNFJ-YIGYUFJTSA-N
Molecular Weight 314.469 g/mol
SMILES C12=C(C(C)(C)C(=C2)\C=C\C=C\(CC(=O)OC)C)CCCC1(C)C
SPLASH splash10-03di-0019000000-63dad281c26791771c53
Source of Spectrum KC-1981-2474-0
Synonyms 4,5,6,7-Tetrahydro-2-(5-methoxycarbonyl-4-methylpenta-1,3-dienyl)-1,1,4,4-tetramethylindene Methyl (3E,5E)-3-methyl-6-(1,1,4,4-tetramethyl-4,5,6,7-tetrahydro-1H-inden-2-yl)-3,5-hexadienoate
Wiley ID 1315575