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(E)-3-(4-Methoxyphenyl)-1-(trans-octahydroquinolin-1(2H)-yl)prop-2-en-1-one
SpectraBase Compound ID LZwvQ4ysUNa
InChI InChI=1S/C19H25NO2/c1-22-17-11-8-15(9-12-17)10-13-19(21)20-14-4-6-16-5-2-3-7-18(16)20/h8-13,16,18H,2-7,14H2,1H3/b13-10+/t16-,18+/m1/s1
InChIKey JSLCHVHCOGPZDP-RNQQZGMQSA-N
Mol Weight 299.41 g/mol
Molecular Formula C19H25NO2
Exact Mass 299.188529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7pRFAd8GdTu
Name (E)-3-(4-Methoxyphenyl)-1-(trans-octahydroquinolin-1(2H)-yl)prop-2-en-1-one
Appearance Colorless oil
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Formula C19H25NO2
InChI InChI=1S/C19H25NO2/c1-22-17-11-8-15(9-12-17)10-13-19(21)20-14-4-6-16-5-2-3-7-18(16)20/h8-13,16,18H,2-7,14H2,1H3/b13-10+/t16-,18+/m1/s1
InChIKey JSLCHVHCOGPZDP-RNQQZGMQSA-N
Instrument Name FINNIGAN MAT 95Q
Ionization Type EI
Literature Reference DOI 10.1002/anie.202205440
Quality 79
Reported Formula C19H25NO2
SMILES COC1=CC=C(C=C1)\C=C\C(=O)N1CCC[C@@]2([C@@]1(CCCC2)[H])[H]
SPLASH splash10-014r-1900000000-9ee0127ad0d4f7300745
Source of Spectrum ACI-61-SM47-13p (DOI: 10.1002/anie.202205440)
Wiley ID 1897864