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3,5-Hexadienoic acid, 3-methyl-6-(5,6,7,7a-tetrahydro-1,4,4,7a-tetramethyl-4H-inden-2-yl)-, methyl ester, (E,E)-
SpectraBase Compound ID nk7w5kvXOl
InChI InChI=1S/C21H30O2/c1-15(13-19(22)23-6)9-7-10-17-14-18-20(3,4)11-8-12-21(18,5)16(17)2/h7,9-10,14H,8,11-13H2,1-6H3/b10-7+,15-9+
InChIKey HTMIKVANPLTXQH-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 G3OAtVsnio2
Name 3,5-Hexadienoic acid, 3-methyl-6-(5,6,7,7a-tetrahydro-1,4,4,7a-tetramethyl-4H-inden-2-yl)-, methyl ester, (E,E)-
CAS Registry Number 80050-21-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O2
InChI InChI=1S/C21H30O2/c1-15(13-19(22)23-6)9-7-10-17-14-18-20(3,4)11-8-12-21(18,5)16(17)2/h7,9-10,14H,8,11-13H2,1-6H3/b10-7+,15-9+
InChIKey HTMIKVANPLTXQH-YIGYUFJTSA-N
Molecular Weight 314.469 g/mol
SMILES C1=2C(C(C)=C(C2)\C=C\C=C\(CC(=O)OC)C)(CCCC1(C)C)C
SPLASH splash10-03di-0019000000-1d34a15249f423f9977f
Source of Spectrum KC-1981-2474-0
Synonyms 4,5,6,7-Tetrahydro-2-(5-methoxycarbonyl-4-methylpenta-1,3-dienyl)-3,3a,7,7-tetramethyl-3ah-indene] Methyl (3E,5E)-6-(3,3a,7,7-tetramethyl-4,5,6,7-tetrahydro-3aH-inden-2-yl)-3-methyl-3,5-hexadienoate
Wiley ID 1315576