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1-Prop-2-ynylhept-6-enyl 2-allyl-6-methoxy-benzoate
SpectraBase Compound ID hEO2r2xS55
InChI InChI=1S/C21H26O3/c1-5-8-9-10-15-18(13-7-3)24-21(22)20-17(12-6-2)14-11-16-19(20)23-4/h3,5-6,11,14,16,18H,1-2,8-10,12-13,15H2,4H3
InChIKey RYKVMZOESGTAFV-UHFFFAOYSA-N
Mol Weight 326.44 g/mol
Molecular Formula C21H26O3
Exact Mass 326.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID uUcFR1ds8
Name 1-Prop-2-ynylhept-6-enyl 2-allyl-6-methoxy-benzoate
Alternate Name(s) 2-Allyl-6-methoxy-benzoic acid 1-propargylhept-6-enyl ester 2-Methoxy-6-prop-2-enylbenzoic acid dec-9-en-1-yn-4-yl ester dec-9-en-1-yn-4-yl 2-methoxy-6-prop-2-enyl-benzoate
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Formula C21H26O3
InChI InChI=1S/C21H26O3/c1-5-8-9-10-15-18(13-7-3)24-21(22)20-17(12-6-2)14-11-16-19(20)23-4/h3,5-6,11,14,16,18H,1-2,8-10,12-13,15H2,4H3
InChIKey RYKVMZOESGTAFV-UHFFFAOYSA-N
Molecular Weight 326.436 g/mol
SMILES C(c1c(OC)cccc1CC=C)(OC(CC#C)CCCCC=C)=O
SPLASH splash10-004i-0900000000-ee98f14fe8e8334537e4
Source of Spectrum H-2005-733-15
Wiley ID 1562324