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[(1S)-2-phenylcyclohex-2-en-1-yl] pentanoate
SpectraBase Compound ID 30B7bovYdB1
InChI InChI=1S/C17H22O2/c1-2-3-13-17(18)19-16-12-8-7-11-15(16)14-9-5-4-6-10-14/h4-6,9-11,16H,2-3,7-8,12-13H2,1H3/t16-/m0/s1
InChIKey GSNLNYCXHBDHEL-INIZCTEOSA-N
Mol Weight 258.36 g/mol
Molecular Formula C17H22O2
Exact Mass 258.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BpLzxqudZa2
Name [(1S)-2-phenylcyclohex-2-en-1-yl] pentanoate
Appearance Viscous oil
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Formula C17H22O2
InChI InChI=1S/C17H22O2/c1-2-3-13-17(18)19-16-12-8-7-11-15(16)14-9-5-4-6-10-14/h4-6,9-11,16H,2-3,7-8,12-13H2,1H3/t16-/m0/s1
InChIKey GSNLNYCXHBDHEL-INIZCTEOSA-N
Instrument Name Hewlett-Packard 5971
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.1c01375
Molecular Weight 258.361 g/mol
SMILES c1ccc(cc1)C=1[C@](CCCC1)(OC(CCCC)=O)[H]
SPLASH splash10-0a4i-1900000000-6ca8b32e75f64672732a
Source of Spectrum A1-23-SM12-5ac
Wiley ID 1867971