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(4S)-3-[(1S)-1-(1-hydroxycyclohexyl)pent-4-en-1-yl]-4-vinyloxazolidin-2-one
SpectraBase Compound ID 3p5EYQuFgIK
InChI InChI=1S/C16H25NO3/c1-3-5-9-14(16(19)10-7-6-8-11-16)17-13(4-2)12-20-15(17)18/h3-4,13-14,19H,1-2,5-12H2/t13-,14-/m0/s1
InChIKey AGEFLKXVFDIBAH-KBPBESRZSA-N
Mol Weight 279.38 g/mol
Molecular Formula C16H25NO3
Exact Mass 279.183444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H83H8skn88Y
Name (4S)-3-[(1S)-1-(1-hydroxycyclohexyl)pent-4-en-1-yl]-4-vinyloxazolidin-2-one
Appearance Colourless oil
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Formula C16H25NO3
InChI InChI=1S/C16H25NO3/c1-3-5-9-14(16(19)10-7-6-8-11-16)17-13(4-2)12-20-15(17)18/h3-4,13-14,19H,1-2,5-12H2/t13-,14-/m0/s1
InChIKey AGEFLKXVFDIBAH-KBPBESRZSA-N
Instrument Name HP 5989A or ThermoFisher Scientific DSQII
Ionization Type EI
Literature Reference DOI 10.1002/adsc.201900349
Molecular Weight 279.380 g/mol
Optical Rotation [a]D19 = -25 (c = 1, CHCl3)
SMILES OC1(CCCCC1)[C@](CCC=C)(N1C(OC[C@@]1(C=C)[H])=O)[H]
SPLASH splash10-0zj3-7900000000-2bb4f506617f13fc71c7
Sample Comments anty/syn = 100:0
Source of Spectrum ASC-361-SM10-(S,S)-11b
Thin-Layer Chromatography Rf = 0.51 (hexanes/diethyl ether, 50:50)
Wiley ID 1835282