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Acetic acid, [6,8,9-trimethyl-4-(3,4-methylenedioxyphenyl)-3-oxabicyclo[3.3.1]non-6-en-1-yl)methyl ester
SpectraBase Compound ID 4EIQwCHP0iH
InChI InChI=1S/C21H26O5/c1-12-7-13(2)21(9-23-15(4)22)10-24-20(19(12)14(21)3)16-5-6-17-18(8-16)26-11-25-17/h5-8,13-14,19-20H,9-11H2,1-4H3
InChIKey OTAZKNLOTKUEQR-UHFFFAOYSA-N
Mol Weight 358.43 g/mol
Molecular Formula C21H26O5
Exact Mass 358.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 12xSEl5oVk
Name Acetic acid, [6,8,9-trimethyl-4-(3,4-methylenedioxyphenyl)-3-oxabicyclo[3.3.1]non-6-en-1-yl)methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O5
InChI InChI=1S/C21H26O5/c1-12-7-13(2)21(9-23-15(4)22)10-24-20(19(12)14(21)3)16-5-6-17-18(8-16)26-11-25-17/h5-8,13-14,19-20H,9-11H2,1-4H3
InChIKey OTAZKNLOTKUEQR-UHFFFAOYSA-N
Molecular Weight 358.434 g/mol
SMILES C1=C(C2C(C(C1C)(COC2c1cc2c(cc1)OCO2)COC(=O)C)C)C
SPLASH splash10-000x-5900000000-fd6d0e678918ccf6c7db
Source of Spectrum AD-0-2532-0
Synonyms [4-(1,3-Benzodioxol-5-yl)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methyl acetate [8-(1,3-benzodioxol-5-yl)-2,4,9-trimethyl-7-oxabicyclo[3.3.1]non-2-en-5-yl]methyl acetate [8-(1,3-benzodioxol-5-yl)-2,4,9-trimethyl-7-oxabicyclo[3.3.1]non-2-en-5-yl]methyl ethanoate
Wiley ID 1426690