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2-Octynoic acid, 4-methyl-4-phenyl-, methyl ester

View entire compound with spectra: 1 MS (GC)

2-Octynoic acid, 4-methyl-4-phenyl-, methyl ester
SpectraBase Compound ID 5pJVUOaofhA
InChI InChI=1S/C16H20O2/c1-4-5-12-16(2,13-11-15(17)18-3)14-9-7-6-8-10-14/h6-10H,4-5,12H2,1-3H3
InChIKey JNUSWADFTSKYAQ-UHFFFAOYSA-N
Mol Weight 244.33 g/mol
Molecular Formula C16H20O2
Exact Mass 244.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DahQmJudt0m
Name 2-Octynoic acid, 4-methyl-4-phenyl-, methyl ester
CAS Registry Number 62360-15-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O2
InChI InChI=1S/C16H20O2/c1-4-5-12-16(2,13-11-15(17)18-3)14-9-7-6-8-10-14/h6-10H,4-5,12H2,1-3H3
InChIKey JNUSWADFTSKYAQ-UHFFFAOYSA-N
Molecular Weight 244.334 g/mol
SMILES C(#CC(=O)OC)C(c1ccccc1)(CCCC)C
SPLASH splash10-000i-0900000000-84c6c7c59b86b045958a
Source of Spectrum K-110-136-2
Synonyms 4-Methyl-4-phenyl-2-octynoic acid methyl ester Methyl 4-methyl-4-phenyloct-2-ynoate Methyl 4-methyl-4-phenyl-oct-2-ynoate
Wiley ID 1247423