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1-(4-Bromophenyl)-2-(trans-octahydroquinolin-1(2H)-yl)ethane-1,2-dione
SpectraBase Compound ID GxoxGVuCQ1J
InChI InChI=1S/C17H20BrNO2/c18-14-9-7-13(8-10-14)16(20)17(21)19-11-3-5-12-4-1-2-6-15(12)19/h7-10,12,15H,1-6,11H2/t12-,15+/m1/s1
InChIKey WSRZLQGSYSCXEZ-DOMZBBRYSA-N
Mol Weight 350.26 g/mol
Molecular Formula C17H20BrNO2
Exact Mass 349.067742 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GENQTqWRv5T
Name 1-(4-Bromophenyl)-2-(trans-octahydroquinolin-1(2H)-yl)ethane-1,2-dione
Appearance Yellow oil
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Formula C17H20BrNO2
InChI InChI=1S/C17H20BrNO2/c18-14-9-7-13(8-10-14)16(20)17(21)19-11-3-5-12-4-1-2-6-15(12)19/h7-10,12,15H,1-6,11H2/t12-,15+/m1/s1
InChIKey WSRZLQGSYSCXEZ-DOMZBBRYSA-N
Instrument Name FINNIGAN MAT 95Q
Ionization Type EI
Literature Reference DOI 10.1002/anie.202205440
Molecular Weight 350.256 g/mol
Quality 287
Reported Formula C17H20BrNO2
SMILES C1(Br)=CC=C(C=C1)C(C(=O)N1CCC[C@@]2([C@@]1(CCCC2)[H])[H])=O
SPLASH splash10-0a4r-1739000000-188484674d0f803b2af7
Source of Spectrum ACI-61-SM36-11b (DOI: 10.1002/anie.202205440)
Wiley ID 1897851