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2-Octynoic acid, 4-phenyl-, methyl ester
SpectraBase Compound ID 3KD4XF3D4rK
InChI InChI=1S/C15H18O2/c1-3-4-8-14(11-12-15(16)17-2)13-9-6-5-7-10-13/h5-7,9-10,14H,3-4,8H2,1-2H3
InChIKey MPFBCEIIFQIULY-UHFFFAOYSA-N
Mol Weight 230.31 g/mol
Molecular Formula C15H18O2
Exact Mass 230.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1SM6bkdXclE
Name 2-Octynoic acid, 4-phenyl-, methyl ester
Alternate Name(s) 4-Phenyl-2-octynoic acid methyl ester Methyl 4-phenyloct-2-ynoate
CAS Registry Number 62360-11-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18O2
InChI InChI=1S/C15H18O2/c1-3-4-8-14(11-12-15(16)17-2)13-9-6-5-7-10-13/h5-7,9-10,14H,3-4,8H2,1-2H3
InChIKey MPFBCEIIFQIULY-UHFFFAOYSA-N
Molecular Weight 230.307 g/mol
SMILES C(#CC(=O)OC)C(c1ccccc1)CCCC
SPLASH splash10-0ac0-0930000000-6da91a266a0afe819099
Source of Spectrum K-110-135-0
Wiley ID 1232137