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2,8-Dimethyl-11-propyl-5,11-methano-6H,12H-dibenzo[b,f][1,5]diazocine-11-ium iodide
SpectraBase Compound ID 69oZveyFCA5
InChI InChI=1S/C20H25N2.HI/c1-4-9-22-13-18-11-15(2)5-7-19(18)21(14-22)12-17-10-16(3)6-8-20(17)22;/h5-8,10-11H,4,9,12-14H2,1-3H3;1H/q+1;/p-1
InChIKey LQATXPZNUWTUHC-UHFFFAOYSA-M
Mol Weight 420.34 g/mol
Molecular Formula C20H25IN2
Exact Mass 420.106244 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KcjXMch4vey
Name 2,8-Dimethyl-11-propyl-5,11-methano-6H,12H-dibenzo[b,f][1,5]diazocine-11-ium iodide
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Formula C20H25IN2
InChI InChI=1S/C20H25N2.HI/c1-4-9-22-13-18-11-15(2)5-7-19(18)21(14-22)12-17-10-16(3)6-8-20(17)22;/h5-8,10-11H,4,9,12-14H2,1-3H3;1H/q+1;/p-1
InChIKey LQATXPZNUWTUHC-UHFFFAOYSA-M
Molecular Weight 420.338 g/mol
SMILES [I-].C1[N+]2(Cc3c(N1Cc1c2ccc(C)c1)ccc(c3)C)CCC
SPLASH splash10-00b9-0590000000-f3807abbede254937098
Source of Spectrum KC-0-48-2
Synonyms 2,8-Dimethyl-11-isopropyl-5,11-methano-6H,12H-tetrahydrodibenzo[b,f][1,5]diazocine-11-ium iodide 5,13-dimethyl-1-propyl-9-aza-1-azoniatetracyclo[7.7.1.0(2,7).0(10,15)]heptadeca-2,4,6,10,12,14-hexaene iodide
Wiley ID 820676