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2,4-Pentadienoic acid, 5-(3-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-3-methyl-, ethyl ester, [R-(E,E)]-
SpectraBase Compound ID 7eP63PVmO9t
InChI InChI=1S/C17H26O3/c1-6-20-16(19)11-12(2)7-8-14-13(3)15(18)9-10-17(14,4)5/h7-8,11,15,18H,6,9-10H2,1-5H3/b8-7+,12-11+/t15-/m1/s1
InChIKey HYJQJTGUMONDLH-DOWJEFOYSA-N
Mol Weight 278.39 g/mol
Molecular Formula C17H26O3
Exact Mass 278.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4InKRHbXhl8
Name 2,4-Pentadienoic acid, 5-(3-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-3-methyl-, ethyl ester, [R-(E,E)]-
Alternate Name(s) Ethyl (2E,4E)-5-[(3R)-3-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl]-3-methyl-2,4-pentadienoate Ethyl ester of (-)-(3'R,2E,4E)-5-[3'-hydroxy-2',6',6'-trimethyl-1'-cyclohexenyl]-3-methyl-2,4-pentadienoic acid
CAS Registry Number 84078-19-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H26O3
InChI InChI=1S/C17H26O3/c1-6-20-16(19)11-12(2)7-8-14-13(3)15(18)9-10-17(14,4)5/h7-8,11,15,18H,6,9-10H2,1-5H3/b8-7+,12-11+/t15-/m1/s1
InChIKey HYJQJTGUMONDLH-DOWJEFOYSA-N
Molecular Weight 278.392 g/mol
SMILES O[C@]1(C(=C(\C=C\C(=C\C(=O)OCC)C)C(CC1)(C)C)C)[H]
SPLASH splash10-002r-2930000000-96d891967e68529ebbcd
Source of Spectrum H-65-1800-0
Wiley ID 1282265