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Ethyl (2E)-7-(4'-methoxyphenyl)hept-2-en-6-ynoate
SpectraBase Compound ID ejJxqeECFC
InChI InChI=1S/C16H18O3/c1-3-19-16(17)9-7-5-4-6-8-14-10-12-15(18-2)13-11-14/h7,9-13H,3-5H2,1-2H3/b9-7+
InChIKey WXXDLVXTEHRRQK-VQHVLOKHSA-N
Mol Weight 258.32 g/mol
Molecular Formula C16H18O3
Exact Mass 258.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HPasE0pjNJy
Name Ethyl (2E)-7-(4'-methoxyphenyl)hept-2-en-6-ynoate
Alternate Name(s) Ethyl (E)-7-(4-methoxyphenyl)hept-2-en-6-ynoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O3
InChI InChI=1S/C16H18O3/c1-3-19-16(17)9-7-5-4-6-8-14-10-12-15(18-2)13-11-14/h7,9-13H,3-5H2,1-2H3/b9-7+
InChIKey WXXDLVXTEHRRQK-VQHVLOKHSA-N
Literature Reference DOI 10.1039/C6OB00165C
Molecular Weight 258.317 g/mol
SMILES C(\C=C\CCC#Cc1ccc(cc1)OC)(=O)OCC
SPLASH splash10-0002-0930000000-45028b258ebc9bfef599
Source of Spectrum F5-14-3290-14
Wiley ID 1804687