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2-Furoic acid, 2-methyloct-5-yn-4-yl ester

View entire compound with spectra: 1 MS (GC)

2-Furoic acid, 2-methyloct-5-yn-4-yl ester
SpectraBase Compound ID JqsYoiDRiVs
InChI InChI=1S/C14H18O3/c1-4-5-7-12(10-11(2)3)17-14(15)13-8-6-9-16-13/h6,8-9,11-12H,4,10H2,1-3H3
InChIKey PDHVXJXOYIMFBK-UHFFFAOYSA-N
Mol Weight 234.29 g/mol
Molecular Formula C14H18O3
Exact Mass 234.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0XBAqu7HKS
Name 2-Furoic acid, 2-methyloct-5-yn-4-yl ester
Alternate Name(s) 2-furancarboxylic acid 2-methyloct-5-yn-4-yl ester 1-isobutylpent-2-ynyl furan-2-carboxylate 2-Methyloct-5-yn-4-yl furan-2-carboxylate
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Formula C14H18O3
InChI InChI=1S/C14H18O3/c1-4-5-7-12(10-11(2)3)17-14(15)13-8-6-9-16-13/h6,8-9,11-12H,4,10H2,1-3H3
InChIKey PDHVXJXOYIMFBK-UHFFFAOYSA-N
Molecular Weight 234.295 g/mol
SMILES CCC#CC(OC(c1occc1)=O)CC(C)C
SPLASH splash10-0002-9300000000-37572ec42c89307316d0
Source of Spectrum NP-6-1496-0
Wiley ID 1105502