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methyl 7-phenyl-5-heptynoate
SpectraBase Compound ID 3PGqRtibd9y
InChI InChI=1S/C14H16O2/c1-4-16-13(15)12-11(14(12,2)3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3
InChIKey HWUKKRKFCRSFSF-UHFFFAOYSA-N
Mol Weight 216.28 g/mol
Molecular Formula C14H16O2
Exact Mass 216.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5YDOk4SQVfk
Name methyl 7-phenyl-5-heptynoate
Alternate Name(s) 7-phenyl-5-heptynoic acid methyl ester 7-phenylhept-5-ynoic acid methyl ester ethyl 3,3-dimethyl-2-phenylcycloprop-1-enecarboxylate Methyl 3,3-dimethyl-2-phenylcycloprop-1-enecarboxylate methyl 7-phenylhept-5-ynoate 3,3-dimethyl-2-phenyl-1-cyclopropenecarboxylic acid ethyl ester ethyl 3,3-dimethyl-2-phenylcyclopropene-1-carboxylate ethyl 3,3-dimethyl-2-phenyl-cyclopropene-1-carboxylate
CAS Registry Number 88255-19-0
Comments Less than 3 mono-isotopic peaks
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Formula C14H16O2
InChI InChI=1S/C14H16O2/c1-4-16-13(15)12-11(14(12,2)3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3
InChIKey HWUKKRKFCRSFSF-UHFFFAOYSA-N
Molecular Weight 216.280 g/mol
SMILES C1(=C(c2ccccc2)C1(C)C)C(=O)OCC
SPLASH splash10-0a4i-0900000000-ea51c3eb2a0f48c682d8
Source of Spectrum J-51-3214-2
Wiley ID 1215886