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4-Methyl-1-(1-methylbutyl)-4-penten-2-ynyl 2-methoxybenzoate
SpectraBase Compound ID 3LPyrCwxUkO
InChI InChI=1S/C19H24O3/c1-6-9-15(4)17(13-12-14(2)3)22-19(20)16-10-7-8-11-18(16)21-5/h7-8,10-11,15,17H,2,6,9H2,1,3-5H3
InChIKey LXJUYCMXZBQAQI-UHFFFAOYSA-N
Mol Weight 300.4 g/mol
Molecular Formula C19H24O3
Exact Mass 300.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 25kapt1Ja9j
Name 4-Methyl-1-(1-methylbutyl)-4-penten-2-ynyl 2-methoxybenzoate
Alternate Name(s) o-Anisic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester 2-Methoxybenzoic acid 2,6-dimethylnon-1-en-3-yn-5-yl ester [4-methyl-1-(1-methylbutyl)pent-4-en-2-ynyl] 2-methoxybenzoate 2,6-Dimethylnon-1-en-3-yn-5-yl 2-methoxybenzoate
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Formula C19H24O3
InChI InChI=1S/C19H24O3/c1-6-9-15(4)17(13-12-14(2)3)22-19(20)16-10-7-8-11-18(16)21-5/h7-8,10-11,15,17H,2,6,9H2,1,3-5H3
InChIKey LXJUYCMXZBQAQI-UHFFFAOYSA-N
Molecular Weight 300.398 g/mol
SMILES C(=O)(OC(C#CC(C)=C)C(CCC)C)c1c(OC)cccc1
SPLASH splash10-000i-2900000000-e606a7261408ee6ed003
Source of Spectrum NP-10-1217-0
Wiley ID 1108669