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(E)-But-2-en-1-yl 4-phenylbutanoate
SpectraBase Compound ID HitTDZUIuKS
InChI InChI=1S/C14H18O2/c1-2-3-12-16-14(15)11-7-10-13-8-5-4-6-9-13/h2-6,8-9H,7,10-12H2,1H3/b3-2+
InChIKey ZIBIIIFGJHIXOK-NSCUHMNNSA-N
Mol Weight 218.3 g/mol
Molecular Formula C14H18O2
Exact Mass 218.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CJfNSO0IexD
Name (E)-But-2-en-1-yl 4-phenylbutanoate
Appearance Colorless oil
Carrier Gas Argon
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 218.130679818 u
Formula C14H18O2
GC Column HP-5 (30 m x 0.32 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C14H18O2/c1-2-3-12-16-14(15)11-7-10-13-8-5-4-6-9-13/h2-6,8-9H,7,10-12H2,1H3/b3-2+
InChIKey ZIBIIIFGJHIXOK-NSCUHMNNSA-N
Instrument Name Agilent HP-7890A-AMD 402
Ionization Type EI
Literature Reference DOI 10.1002/anie.202211939
Molecular Weight 218.296 g/mol
Quality 116
SMILES C(\C=C\C)OC(CCCC1=CC=CC=C1)=O
SPLASH splash10-014l-5900000000-da67c371bfd323736a8d
Source of Spectrum ACI-61-SM34-35 (DOI: 10.1002/anie.202211939)
Wiley ID 1899549