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[(1S)-1-ethyl-2-phenyl-pent-2-enyl] butanoate
SpectraBase Compound ID Ie9RJLvmZzQ
InChI InChI=1S/C17H24O2/c1-4-10-15(14-12-8-7-9-13-14)16(6-3)19-17(18)11-5-2/h7-10,12-13,16H,4-6,11H2,1-3H3/t16-/m0/s1
InChIKey NWTNDSLDWWFBFC-INIZCTEOSA-N
Mol Weight 260.38 g/mol
Molecular Formula C17H24O2
Exact Mass 260.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2XSCnEsU0tb
Name [(1S)-1-ethyl-2-phenyl-pent-2-enyl] butanoate
Appearance Viscous oil
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Formula C17H24O2
InChI InChI=1S/C17H24O2/c1-4-10-15(14-12-8-7-9-13-14)16(6-3)19-17(18)11-5-2/h7-10,12-13,16H,4-6,11H2,1-3H3/t16-/m0/s1
InChIKey NWTNDSLDWWFBFC-INIZCTEOSA-N
Instrument Name Hewlett-Packard 5971
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.1c01375
Molecular Weight 260.377 g/mol
SMILES c1ccc(cc1)C(=CCC)[C@](CC)(OC(=O)CCC)[H]
SPLASH splash10-0abc-0900000000-9fe875f27299f01143e0
Sample Comments E/Z = 53:47
Source of Spectrum A1-23-SM11-5pa
Wiley ID 1867995