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[(1S)-2-phenylcyclohept-2-en-1-yl] butanoate
SpectraBase Compound ID BXv3aeYxDbJ
InChI InChI=1S/C17H22O2/c1-2-9-17(18)19-16-13-8-4-7-12-15(16)14-10-5-3-6-11-14/h3,5-6,10-12,16H,2,4,7-9,13H2,1H3/t16-/m0/s1
InChIKey PJXBBBGFPDBBED-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 H74aTcQoPO3
Name [(1S)-2-phenylcyclohept-2-en-1-yl] butanoate
Appearance Viscous oil
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Formula C17H22O2
InChI InChI=1S/C17H22O2/c1-2-9-17(18)19-16-13-8-4-7-12-15(16)14-10-5-3-6-11-14/h3,5-6,10-12,16H,2,4,7-9,13H2,1H3/t16-/m0/s1
InChIKey PJXBBBGFPDBBED-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)C1=CCCCC[C@@]1(OC(CCC)=O)[H]
SPLASH splash10-0596-0900000000-eea088791044a17c9e22
Source of Spectrum A1-23-SM11-5oa
Wiley ID 1867994