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Benzoic acid, 2,4,6-trimethyl-, 6-hydroxy-3,7-dimethyl-2,7-octadienyl ester, (E)-
SpectraBase Compound ID 3BgucDBBeqD
InChI InChI=1S/C20H28O3/c1-13(2)18(21)8-7-14(3)9-10-23-20(22)19-16(5)11-15(4)12-17(19)6/h9,11-12,18,21H,1,7-8,10H2,2-6H3/b14-9+
InChIKey ITBOIQNAKREGOO-NTEUORMPSA-N
Mol Weight 316.44 g/mol
Molecular Formula C20H28O3
Exact Mass 316.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HxnzN4gYoHY
Name Benzoic acid, 2,4,6-trimethyl-, 6-hydroxy-3,7-dimethyl-2,7-octadienyl ester, (E)-
CAS Registry Number 52500-44-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O3
InChI InChI=1S/C20H28O3/c1-13(2)18(21)8-7-14(3)9-10-23-20(22)19-16(5)11-15(4)12-17(19)6/h9,11-12,18,21H,1,7-8,10H2,2-6H3/b14-9+
InChIKey ITBOIQNAKREGOO-NTEUORMPSA-N
Molecular Weight 316.441 g/mol
SMILES OC(C(=C)C)CC\C(=C\COC(c1c(cc(cc1C)C)C)=O)C
SPLASH splash10-0002-2900000000-cad2bbc32a41286ba140
Source of Spectrum J-9-3317-61
Synonyms (2E)-6-hydroxy-3,7-dimethyl-2,7-octadienyl 2,4,6-trimethylbenzoate (E)-3-Hydroxy-8-mesitoyoxy-2,6-dimethyl-1,6-octadiene
Wiley ID 1317049