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Benzoic acid, 2-methoxy-3-(4-methoxy-2-methyl-4-oxobutyl)-6-methyl
SpectraBase Compound ID FFQty5UrMdt
InChI InChI=1S/C16H22O5/c1-10(9-13(17)19-3)8-12-7-6-11(2)14(15(12)20-4)16(18)21-5/h6-7,10H,8-9H2,1-5H3
InChIKey XJPJTHOTOCMVMM-UHFFFAOYSA-N
Mol Weight 294.35 g/mol
Molecular Formula C16H22O5
Exact Mass 294.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GrmDvdocCGq
Name Benzoic acid, 2-methoxy-3-(4-methoxy-2-methyl-4-oxobutyl)-6-methyl
Alternate Name(s) 2-Methoxy-3-(4-methoxy-2-methyl-4-oxobutyl)-6-methylbenzoic acid methyl ester 3-(4-keto-4-methoxy-2-methyl-butyl)-2-methoxy-6-methyl-benzoic acid methyl ester Methyl 2-methoxy-3-(4-methoxy-2-methyl-4-oxidanylidene-butyl)-6-methyl-benzoate Methyl 2-methoxy-3-(4-methoxy-2-methyl-4-oxo-butyl)-6-methyl-benzoate
CAS Registry Number 56704-66-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O5
InChI InChI=1S/C16H22O5/c1-10(9-13(17)19-3)8-12-7-6-11(2)14(15(12)20-4)16(18)21-5/h6-7,10H,8-9H2,1-5H3
InChIKey XJPJTHOTOCMVMM-UHFFFAOYSA-N
Molecular Weight 294.347 g/mol
SMILES c1(c(c(c(cc1)C)C(=O)OC)OC)CC(C)CC(OC)=O
SPLASH splash10-03dv-5940000000-66d5334f9cd7364efde2
Wiley ID 1477273