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Oxirane, 3-[13-[2,5-bis(methoxymethoxy)-3-methylphenyl]-3,7,11-trimethyl-3,7,11-tridecatrienyl]-2,2-dimethyl-, (E,E,E)-(.+-.)-
SpectraBase Compound ID 7IXV3Jk8KjZ
InChI InChI=1S/C31H48O5/c1-23(12-10-14-25(3)16-18-29-31(5,6)36-29)11-9-13-24(2)15-17-27-20-28(34-21-32-7)19-26(4)30(27)35-22-33-8/h11,14-15,19-20,29H,9-10,12-13,16-18,21-22H2,1-8H3/b23-11+,24-15+,25-14+
InChIKey IZMKDJDDOBTUFR-SBNFIDSTSA-N
Mol Weight 500.7 g/mol
Molecular Formula C31H48O5
Exact Mass 500.350175 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KkxdG98QOmS
Name Oxirane, 3-[13-[2,5-bis(methoxymethoxy)-3-methylphenyl]-3,7,11-trimethyl-3,7,11-tridecatrienyl]-2,2-dimethyl-, (E,E,E)-(.+-.)-
CAS Registry Number 131265-65-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H48O5
InChI InChI=1S/C31H48O5/c1-23(12-10-14-25(3)16-18-29-31(5,6)36-29)11-9-13-24(2)15-17-27-20-28(34-21-32-7)19-26(4)30(27)35-22-33-8/h11,14-15,19-20,29H,9-10,12-13,16-18,21-22H2,1-8H3/b23-11+,24-15+,25-14+
InChIKey IZMKDJDDOBTUFR-SBNFIDSTSA-N
Molecular Weight 500.720 g/mol
SMILES C1(OC1CC\C(=C\CC\C(=C\CC\C(=C\Cc1c(c(C)cc(c1)OCOC)OCOC)C)C)C)(C)C
SPLASH splash10-001r-9400000000-9d4ea476931ed878b34f
Source of Spectrum KC-1990-2271-36
Synonyms (E,E,E)-1-[2,5-bis(mehtoxymethoxy)-3-methylphenyl]-14s,15-epoxy-3,7,11,15-tetramethylexadeca-2,6,10-triene 3-{(3E,7E,11E)-13-[2,5-bis(methoxymethoxy)-3-methylphenyl]-3,7,11-trimethyl-3,7,11-tridecatrienyl}-2,2-dimethyloxirane
Wiley ID 1398944