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benzyl 4-phenylhept-4-enoate
SpectraBase Compound ID iLUpGFjHOe
InChI InChI=1S/C20H22O2/c1-2-9-18(19-12-7-4-8-13-19)14-15-20(21)22-16-17-10-5-3-6-11-17/h3-13H,2,14-16H2,1H3
InChIKey IZFDDWORQQYZGT-UHFFFAOYSA-N
Mol Weight 294.39 g/mol
Molecular Formula C20H22O2
Exact Mass 294.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Df4QswCfmRH
Name benzyl 4-phenylhept-4-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 294.161979946 u
Formula C20H22O2
GC Column DB-5MS UI (30 m x 0.25 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C20H22O2/c1-2-9-18(19-12-7-4-8-13-19)14-15-20(21)22-16-17-10-5-3-6-11-17/h3-13H,2,14-16H2,1H3
InChIKey IZFDDWORQQYZGT-UHFFFAOYSA-N
Instrument Name Thermofisher ScientificTrace 1300-ISQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/anie.202214135
Quality 558
SMILES C(CC(C1=CC=CC=C1)=CCC)C(OCC1=CC=CC=C1)=O
SPLASH splash10-0006-4900000000-d591802679b9cc7ab90e
Source of Spectrum ACI-62-SM24-Figure S11-1 (DOI: 10.1002/anie.202214135)
Wiley ID 1909772