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[(1S)-2-phenylcyclohex-2-en-1-yl] (E)-pent-2-enoate
SpectraBase Compound ID KIjgM5oYBmb
InChI InChI=1S/C17H20O2/c1-2-3-13-17(18)19-16-12-8-7-11-15(16)14-9-5-4-6-10-14/h3-6,9-11,13,16H,2,7-8,12H2,1H3/b13-3+/t16-/m0/s1
InChIKey XTPDORSRPFNRTF-JORANLSZSA-N
Mol Weight 256.34 g/mol
Molecular Formula C17H20O2
Exact Mass 256.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID QvOvwJJdNi
Name [(1S)-2-phenylcyclohex-2-en-1-yl] (E)-pent-2-enoate
Appearance Viscous oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20O2
InChI InChI=1S/C17H20O2/c1-2-3-13-17(18)19-16-12-8-7-11-15(16)14-9-5-4-6-10-14/h3-6,9-11,13,16H,2,7-8,12H2,1H3/b13-3+/t16-/m0/s1
InChIKey XTPDORSRPFNRTF-JORANLSZSA-N
Instrument Name Hewlett-Packard 5971
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.1c01375
Molecular Weight 256.345 g/mol
SMILES c1ccc(cc1)C=1[C@](CCCC1)(OC(\C=C\CC)=O)[H]
SPLASH splash10-0a4i-1900000000-916e2f7ea354c7bf468a
Source of Spectrum A1-23-SM13-5ah
Wiley ID 1867976