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(2RS,3SR)-2-((Z)-2-Penten-1-yl)-3-((phenylselenyl)methyl)-cyclopentan-1-one
SpectraBase Compound ID 3cyv9K3D97n
InChI InChI=1S/C17H22OSe/c1-2-3-5-10-16-14(11-12-17(16)18)13-19-15-8-6-4-7-9-15/h3-9,14,16H,2,10-13H2,1H3/b5-3-/t14-,16-/m0/s1
InChIKey NHPVBCDSXPRAGM-JAZSXILNSA-N
Mol Weight 321.33 g/mol
Molecular Formula C17H22OSe
Exact Mass 322.083587 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HCBu6ChRiGp
Name (2RS,3SR)-2-((Z)-2-Penten-1-yl)-3-((phenylselenyl)methyl)-cyclopentan-1-one
Appearance Yellowish oil
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Formula C17H22OSe
InChI InChI=1S/C17H22OSe/c1-2-3-5-10-16-14(11-12-17(16)18)13-19-15-8-6-4-7-9-15/h3-9,14,16H,2,10-13H2,1H3/b5-3-/t14-,16-/m0/s1
InChIKey NHPVBCDSXPRAGM-JAZSXILNSA-N
Instrument Name HP 6890/ MSD 5973 & HP 7890A/MSD 5975
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.1c00145
Molecular Weight 321.334 g/mol
SMILES [C@]1([C@](C\C=C/CC)(C(=O)CC1)[H])(C[Se]c1ccccc1)[H]
SPLASH splash10-00dl-9501000000-de1043d23a6da395e681
Source of Spectrum JOC-86-5249-10
Thin-Layer Chromatography Rf = 0.23 (pentane/diethyl ether, 10:1)
Wiley ID 1870185