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3-(4-N,N-Dimethylaminophenyl)-5-acetamidotricyclo[2.2.1.0(2,6)]heptane
SpectraBase Compound ID K7RX1sQ7OJe
InChI InChI=1S/C17H22N2O/c1-9(20)18-17-13-8-12-15(16(12)17)14(13)10-4-6-11(7-5-10)19(2)3/h4-7,12-17H,8H2,1-3H3,(H,18,20)/t12-,13+,14-,15-,16-,17+/m1/s1
InChIKey MXIPXHBTKSDHNF-GGGWTEGZSA-N
Mol Weight 270.38 g/mol
Molecular Formula C17H22N2O
Exact Mass 270.173213 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G0PxT37p80A
Name 3-(4-N,N-Dimethylaminophenyl)-5-acetamidotricyclo[2.2.1.0(2,6)]heptane
Alternate Name(s) N-{5-[4-(dimethylamino)phenyl]tricyclo[2.2.1.0(2,6)]hept-3-yl}acetamide
Comments Less than 3 mono-isotopic peaks
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Formula C17H22N2O
InChI InChI=1S/C17H22N2O/c1-9(20)18-17-13-8-12-15(16(12)17)14(13)10-4-6-11(7-5-10)19(2)3/h4-7,12-17H,8H2,1-3H3,(H,18,20)/t12-,13+,14-,15-,16-,17+/m1/s1
InChIKey MXIPXHBTKSDHNF-GGGWTEGZSA-N
Molecular Weight 270.376 g/mol
SMILES N([C@@]1([C@]2([C@]3([C@](c4ccc(cc4)N(C)C)([C@@]1(C[C@@]23[H])[H])[H])[H])[H])[H])C(=O)C
SPLASH splash10-0229-0090000000-b28bafd0a77d7850b41d
Source of Spectrum QF-9-1553-10
Wiley ID 1558262