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1(3H)-Isobenzofuranone, 5,7-bis(acetyloxy)-4-methyl-6-(3,7,11-trimethyl-6-oxo-2,10-dodecadien yl)-, (E)-
SpectraBase Compound ID IAk4DrQWudO
InChI InChI=1S/C28H36O7/c1-16(2)9-8-10-18(4)24(31)14-12-17(3)11-13-22-26(34-20(6)29)19(5)23-15-33-28(32)25(23)27(22)35-21(7)30/h9,11,18H,8,10,12-15H2,1-7H3/b17-11+
InChIKey OIKMCJWIFITMKA-GZTJUZNOSA-N
Mol Weight 484.6 g/mol
Molecular Formula C28H36O7
Exact Mass 484.246103 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BJLWYztZi4Q
Name 1(3H)-Isobenzofuranone, 5,7-bis(acetyloxy)-4-methyl-6-(3,7,11-trimethyl-6-oxo-2,10-dodecadien yl)-, (E)-
Alternate Name(s) 5,7-Diacetoxy-4-methyl-6-[3,7,11-trimethyl-6-oxododeca-2-(E),10-dienyl]phthalide 6-(acetyloxy)-7-methyl-3-oxo-5-[(2E)-3,7,11-trimethyl-6-oxo-2,10-dodecadienyl]-1,3-dihydro-2-benzofuran-4-yl acetate
CAS Registry Number 81657-81-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H36O7
InChI InChI=1S/C28H36O7/c1-16(2)9-8-10-18(4)24(31)14-12-17(3)11-13-22-26(34-20(6)29)19(5)23-15-33-28(32)25(23)27(22)35-21(7)30/h9,11,18H,8,10,12-15H2,1-7H3/b17-11+
InChIKey OIKMCJWIFITMKA-GZTJUZNOSA-N
Molecular Weight 484.589 g/mol
SMILES c12c(c(C\C=C\(CCC(=O)C(CCC=C(C)C)C)C)c(c(c2COC1=O)C)OC(=O)C)OC(=O)C
SPLASH splash10-03di-0943000000-7c05b845daf9c87405cd
Source of Spectrum KC-1982-370-0
Wiley ID 1396064