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5-[4'-Ethynylphenyl]pent-4-ynoic acid - Methyl ester
SpectraBase Compound ID KIQc9EpojJ9
InChI InChI=1S/C14H12O2/c1-3-12-8-10-13(11-9-12)6-4-5-7-14(15)16-2/h1,8-11H,5,7H2,2H3
InChIKey TYNPKXLEBPFYGJ-UHFFFAOYSA-N
Mol Weight 212.25 g/mol
Molecular Formula C14H12O2
Exact Mass 212.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HnoQxWpEknp
Name 5-[4'-Ethynylphenyl]pent-4-ynoic acid - Methyl ester
Alternate Name(s) Methyl 5-(4-ethynylphenyl)pent-4-ynoate
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Formula C14H12O2
InChI InChI=1S/C14H12O2/c1-3-12-8-10-13(11-9-12)6-4-5-7-14(15)16-2/h1,8-11H,5,7H2,2H3
InChIKey TYNPKXLEBPFYGJ-UHFFFAOYSA-N
Molecular Weight 212.248 g/mol
SMILES COC(CCC#Cc1ccc(cc1)C#C)=O
SPLASH splash10-01pa-0920000000-8c23aad71c09d63bb24d
Source of Spectrum F5-6-2976-5j
Wiley ID 1733526