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1,3-Benzenediol, 5-methyl-2-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-, diacetate, (E,E)-
SpectraBase Compound ID JgoM0t5GGOs
InChI InChI=1S/C26H36O4/c1-18(2)10-8-11-19(3)12-9-13-20(4)14-15-24-25(29-22(6)27)16-21(5)17-26(24)30-23(7)28/h10,12,14,16-17H,8-9,11,13,15H2,1-7H3/b19-12+,20-14+
InChIKey QECPGQGTWSEWNK-LCAIAVFMSA-N
Mol Weight 412.6 g/mol
Molecular Formula C26H36O4
Exact Mass 412.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E8cGe9QpP4K
Name 1,3-Benzenediol, 5-methyl-2-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-, diacetate, (E,E)-
CAS Registry Number 52104-23-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H36O4
InChI InChI=1S/C26H36O4/c1-18(2)10-8-11-19(3)12-9-13-20(4)14-15-24-25(29-22(6)27)16-21(5)17-26(24)30-23(7)28/h10,12,14,16-17H,8-9,11,13,15H2,1-7H3/b19-12+,20-14+
InChIKey QECPGQGTWSEWNK-LCAIAVFMSA-N
Molecular Weight 412.570 g/mol
SMILES c1(c(OC(=O)C)cc(cc1OC(=O)C)C)C\C=C\(CC\C=C\(CCC=C(C)C)C)C
SPLASH splash10-000f-7920000000-ff6b19c1eb7b0bf8c850
Source of Spectrum W5-34079-31457-31457
Synonyms 3-(acetyloxy)-5-methyl-2-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrienyl]phenyl acetate Acetic acid [3-acetyloxy-5-methyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phenyl] ester [3-acetyloxy-5-methyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phenyl] acetate [3-acetoxy-5-methyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phenyl] acetate [3-acetyloxy-5-methyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phenyl] ethanoate
Wiley ID 1374595