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Ethyl 4-(cyclopentylethynyl)benzoate

View entire compound with spectra: 1 MS (GC)

Ethyl 4-(cyclopentylethynyl)benzoate
SpectraBase Compound ID 5Xhlgc8YkmO
InChI InChI=1S/C16H18O2/c1-2-18-16(17)15-11-9-14(10-12-15)8-7-13-5-3-4-6-13/h9-13H,2-6H2,1H3
InChIKey KVAUQOXKDGMTNU-UHFFFAOYSA-N
Mol Weight 242.32 g/mol
Molecular Formula C16H18O2
Exact Mass 242.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4f2kxIOZvtp
Name Ethyl 4-(cyclopentylethynyl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O2
InChI InChI=1S/C16H18O2/c1-2-18-16(17)15-11-9-14(10-12-15)8-7-13-5-3-4-6-13/h9-13H,2-6H2,1H3
InChIKey KVAUQOXKDGMTNU-UHFFFAOYSA-N
Literature Reference DOI 10.1039/C5SC02583D
Molecular Weight 242.318 g/mol
SMILES C(c1ccc(cc1)C#CC1CCCC1)(=O)OCC
SPLASH splash10-00kf-1910000000-903d06c15c8639a0c059
Source of Spectrum CSS-7-89/SM14-3mb
Wiley ID 1801106