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(2E,4E)-11-hydroxy-3,7,11-trimethyl-dodeca-2,4-dienoic acid isopropyl ester
SpectraBase Compound ID GIDyOIvQQz2
InChI InChI=1S/C18H32O3/c1-14(2)21-17(19)13-16(4)10-7-9-15(3)11-8-12-18(5,6)20/h7,10,13-15,20H,8-9,11-12H2,1-6H3/b10-7+,16-13+
InChIKey JQXMKVWTSHHTAY-NJKRNUQASA-N
Mol Weight 296.5 g/mol
Molecular Formula C18H32O3
Exact Mass 296.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IVCUl2mNdhQ
Name (2E,4E)-11-hydroxy-3,7,11-trimethyl-dodeca-2,4-dienoic acid isopropyl ester
CAS Registry Number 40596-70-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H32O3
InChI InChI=1S/C18H32O3/c1-14(2)21-17(19)13-16(4)10-7-9-15(3)11-8-12-18(5,6)20/h7,10,13-15,20H,8-9,11-12H2,1-6H3/b10-7+,16-13+
InChIKey JQXMKVWTSHHTAY-NJKRNUQASA-N
Molecular Weight 296.451 g/mol
SMILES OC(CCCC(C\C=C\C(=C\C(=O)OC(C)C)C)C)(C)C
SPLASH splash10-0kbf-6920000000-1e89bf1b1ae09d7c0165
Source of Spectrum W5-26608-0-0
Synonyms (2E,4E)-11-hydroxy-3,7,11-trimethyldodeca-2,4-dienoic acid propan-2-yl ester isopropyl (2E,4E)-11-hydroxy-3,7,11-trimethyl-dodeca-2,4-dienoate Propan-2-yl (2E,4E)-11-hydroxy-3,7,11-trimethyldodeca-2,4-dienoate Propan-2-yl (2E,4E)-3,7,11-trimethyl-11-oxidanyl-dodeca-2,4-dienoate
Wiley ID 1299407