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9-O-Methyl-N-butylcaryachine N-methobromide

View entire compound with spectra: 1 MS (GC)

9-O-Methyl-N-butylcaryachine N-methobromide
SpectraBase Compound ID BbnCl0BJVBR
InChI InChI=1S/C24H30NO4.BrH/c1-5-6-7-25(2)19-9-16-11-23-24(29-14-28-23)13-18(16)20(25)8-15-10-21(26-3)22(27-4)12-17(15)19;/h10-13,19-20H,5-9,14H2,1-4H3;1H/q+1;/p-1/t19-,20-,25-;/m0./s1
InChIKey IMOWXGUTPXQVKG-VZZZFAHMSA-M
Mol Weight 476.41 g/mol
Molecular Formula C24H30BrNO4
Exact Mass 475.135821 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D37zMjtweKL
Name 9-O-Methyl-N-butylcaryachine N-methobromide
Alternate Name(s) 20-butyl-15,16-dimethoxy-20-methyl-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
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H30BrNO4
InChI InChI=1S/C24H30NO4.BrH/c1-5-6-7-25(2)19-9-16-11-23-24(29-14-28-23)13-18(16)20(25)8-15-10-21(26-3)22(27-4)12-17(15)19;/h10-13,19-20H,5-9,14H2,1-4H3;1H/q+1;/p-1/t19-,20-,25-;/m0./s1
InChIKey IMOWXGUTPXQVKG-VZZZFAHMSA-M
Molecular Weight 476.411 g/mol
SMILES [Br-].[C@@]12([N@+]([C@@](Cc3cc4OCOc4cc23)(c2c(cc(c(c2)OC)OC)C1)[H])(CCCC)C)[H]
SPLASH splash10-001i-0194000000-310add4c2af667f62461
Source of Spectrum H1-43-1410-0
Wiley ID 757925