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(2E)-2-Penten-4-ynyl 4-butylbenzoate
SpectraBase Compound ID FicSPr5bd3P
InChI InChI=1S/C16H18O2/c1-3-5-7-13-18-16(17)15-11-9-14(10-12-15)8-6-4-2/h1,5,7,9-12H,4,6,8,13H2,2H3/b7-5+
InChIKey JKKNXQJVFQVSHN-FNORWQNLSA-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 1IaJkWaFDYe
Name (2E)-2-Penten-4-ynyl 4-butylbenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O2
InChI InChI=1S/C16H18O2/c1-3-5-7-13-18-16(17)15-11-9-14(10-12-15)8-6-4-2/h1,5,7,9-12H,4,6,8,13H2,2H3/b7-5+
InChIKey JKKNXQJVFQVSHN-FNORWQNLSA-N
Molecular Weight 242.318 g/mol
SMILES C(=O)(OC\C=C\C#C)c1ccc(CCCC)cc1
SPLASH splash10-03di-1900000000-a93d9ee95ca7091e0259
Source of Spectrum NP-6-6564-0
Synonyms 4-Butylbenzoic acid, pent-2-en-4-ynyl ester [(E)-pent-2-en-4-ynyl] 4-butylbenzoate
Wiley ID 1105878