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[(1S)-2-phenyl-1-propyl-hex-2-enyl] butanoate
SpectraBase Compound ID 8lQqdOOExpe
InChI InChI=1S/C19H28O2/c1-4-7-15-17(16-13-9-8-10-14-16)18(11-5-2)21-19(20)12-6-3/h8-10,13-15,18H,4-7,11-12H2,1-3H3/t18-/m0/s1
InChIKey DTPZFZJPGHJKFY-SFHVURJKSA-N
Mol Weight 288.43 g/mol
Molecular Formula C19H28O2
Exact Mass 288.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 78qPHg6hPQu
Name [(1S)-2-phenyl-1-propyl-hex-2-enyl] butanoate
Appearance Viscous oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H28O2
InChI InChI=1S/C19H28O2/c1-4-7-15-17(16-13-9-8-10-14-16)18(11-5-2)21-19(20)12-6-3/h8-10,13-15,18H,4-7,11-12H2,1-3H3/t18-/m0/s1
InChIKey DTPZFZJPGHJKFY-SFHVURJKSA-N
Instrument Name Hewlett-Packard 5971
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.1c01375
SMILES c1ccc(cc1)C(=CCCC)[C@](CCC)(OC(=O)CCC)[H]
SPLASH splash10-0fmi-0930000000-215286b35fba7fc745a1
Sample Comments E/Z = 50:50
Source of Spectrum A1-23-SM11-5qa
Wiley ID 1867996