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9-O-Methyl-N-propylcaryachine N-methobromide
SpectraBase Compound ID igwx5Y7WEt
InChI InChI=1S/C23H28NO4.BrH/c1-5-6-24(2)18-8-15-10-22-23(28-13-27-22)12-17(15)19(24)7-14-9-20(25-3)21(26-4)11-16(14)18;/h9-12,18-19H,5-8,13H2,1-4H3;1H/q+1;/p-1/t18-,19-,24-;/m0./s1
InChIKey FRADGPWQFNNONV-STPBPWNBSA-M
Mol Weight 462.38 g/mol
Molecular Formula C23H28BrNO4
Exact Mass 461.120171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GYJNa8eKn72
Name 9-O-Methyl-N-propylcaryachine N-methobromide
Alternate Name(s) 15,16-dimethoxy-20-methyl-20-propyl-5,7-dioxa-20-azoniapentacyclo[10.7.1.0(2,10).0(4,8).0(13,18)]icosa-2(10),3,8,13,15,17-hexaene bromide
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Formula C23H28BrNO4
InChI InChI=1S/C23H28NO4.BrH/c1-5-6-24(2)18-8-15-10-22-23(28-13-27-22)12-17(15)19(24)7-14-9-20(25-3)21(26-4)11-16(14)18;/h9-12,18-19H,5-8,13H2,1-4H3;1H/q+1;/p-1/t18-,19-,24-;/m0./s1
InChIKey FRADGPWQFNNONV-STPBPWNBSA-M
Molecular Weight 462.384 g/mol
SMILES [Br-].[C@@]12([N@+]([C@@](Cc3cc4OCOc4cc23)(c2c(cc(c(c2)OC)OC)C1)[H])(CCC)C)[H]
SPLASH splash10-00kr-0495000000-f71559c58eccbe9c492b
Source of Spectrum H1-43-1410-0
Wiley ID 757926