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4-Methyl-1-(1-methylbutyl)-4-penten-2-ynyl 2,6-difluorobenzoate
SpectraBase Compound ID JKHW2NgQTxG
InChI InChI=1S/C18H20F2O2/c1-5-7-13(4)16(11-10-12(2)3)22-18(21)17-14(19)8-6-9-15(17)20/h6,8-9,13,16H,2,5,7H2,1,3-4H3
InChIKey BJEBUIYNTARECX-UHFFFAOYSA-N
Mol Weight 306.35 g/mol
Molecular Formula C18H20F2O2
Exact Mass 306.143136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ea4rMgJnSYG
Name 4-Methyl-1-(1-methylbutyl)-4-penten-2-ynyl 2,6-difluorobenzoate
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Formula C18H20F2O2
InChI InChI=1S/C18H20F2O2/c1-5-7-13(4)16(11-10-12(2)3)22-18(21)17-14(19)8-6-9-15(17)20/h6,8-9,13,16H,2,5,7H2,1,3-4H3
InChIKey BJEBUIYNTARECX-UHFFFAOYSA-N
Molecular Weight 306.353 g/mol
SMILES C(=O)(OC(C#CC(C)=C)C(CCC)C)c1c(F)cccc1F
SPLASH splash10-0006-1900000000-c0aab493e527cc6ca767
Source of Spectrum NP-10-4510-0
Synonyms 2,6-Difluorobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester 2,6-Difluorobenzoic acid 2,6-dimethylnon-1-en-3-yn-5-yl ester 2,6-Dimethylnon-1-en-3-yn-5-yl 2,6-difluorobenzoate [4-methyl-1-(1-methylbutyl)pent-4-en-2-ynyl] 2,6-difluorobenzoate 2,6-Dimethylnon-1-en-3-yn-5-yl 2,6-bis(fluoranyl)benzoate
Wiley ID 1108902