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2-Chlorobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester
SpectraBase Compound ID 22aehe781kN
InChI InChI=1S/C18H21ClO2/c1-5-8-14(4)17(12-11-13(2)3)21-18(20)15-9-6-7-10-16(15)19/h6-7,9-10,14,17H,2,5,8H2,1,3-4H3
InChIKey ZONSAPGHXXNOMW-UHFFFAOYSA-N
Mol Weight 304.82 g/mol
Molecular Formula C18H21ClO2
Exact Mass 304.123008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BB98noBBWit
Name 2-Chlorobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester
Alternate Name(s) 2-Chlorobenzoic acid 2,6-dimethylnon-1-en-3-yn-5-yl ester 2,6-Dimethylnon-1-en-3-yn-5-yl 2-chlorobenzoate [4-methyl-1-(1-methylbutyl)pent-4-en-2-ynyl] 2-chlorobenzoate 2,6-Dimethylnon-1-en-3-yn-5-yl 2-chloranylbenzoate
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Formula C18H21ClO2
InChI InChI=1S/C18H21ClO2/c1-5-8-14(4)17(12-11-13(2)3)21-18(20)15-9-6-7-10-16(15)19/h6-7,9-10,14,17H,2,5,8H2,1,3-4H3
InChIKey ZONSAPGHXXNOMW-UHFFFAOYSA-N
Molecular Weight 304.817 g/mol
SMILES c1cccc(c1Cl)C(OC(C(CCC)C)C#CC(=C)C)=O
SPLASH splash10-000i-2900000000-5873c729a3276fa9c907
Source of Spectrum NP-10-3351-0
Wiley ID 1108828