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2,4,6,8-Nonatetraenoic acid, 9-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, ethyl ester, [R-(all-E)]-
SpectraBase Compound ID 430Z6uUWMdy
InChI InChI=1S/C20H28O2/c1-5-22-19(21)15-11-9-7-6-8-10-14-18-17(2)13-12-16-20(18,3)4/h6-11,13-15,18H,5,12,16H2,1-4H3/b8-6-,9-7-,14-10-,15-11-/t18-/m0/s1
InChIKey MQVAUQAXTGHSEK-FOLKYTJISA-N
Mol Weight 300.44 g/mol
Molecular Formula C20H28O2
Exact Mass 300.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EsGXtGXvMsX
Name 2,4,6,8-Nonatetraenoic acid, 9-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, ethyl ester, [R-(all-E)]-
CAS Registry Number 83021-18-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O2
InChI InChI=1S/C20H28O2/c1-5-22-19(21)15-11-9-7-6-8-10-14-18-17(2)13-12-16-20(18,3)4/h6-11,13-15,18H,5,12,16H2,1-4H3/b8-6-,9-7-,14-10-,15-11-/t18-/m0/s1
InChIKey MQVAUQAXTGHSEK-FOLKYTJISA-N
Molecular Weight 300.442 g/mol
SMILES [C@]1(C(=CCCC1(C)C)C)(\C=C/C=C\C=C/C=C\C(=O)OCC)[H]
SPLASH splash10-0006-9041000000-72e04e011df27981f276
Source of Spectrum H-65-910-0
Synonyms Ethyl (2Z,4Z,6Z,8Z)-9-[(1R)-2,6,6-trimethyl-2-cyclohexen-1-yl]-2,4,6,8-nonatetraenoate Ethyl ester of (+)-(R)-9-(2,6,6-trimethyl-2-cyclohexen-1-yl)-(all-E)-2,4,6,8-nonatetraenoic acid
Wiley ID 1303336