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9-O-Methyl-N-benzylcaryachine N-methobromide

View entire compound with spectra: 1 MS (GC)

9-O-Methyl-N-benzylcaryachine N-methobromide
SpectraBase Compound ID ABJEuNYTK5E
InChI InChI=1S/C27H28NO4.BrH/c1-28(15-17-7-5-4-6-8-17)22-10-19-12-26-27(32-16-31-26)14-21(19)23(28)9-18-11-24(29-2)25(30-3)13-20(18)22;/h4-8,11-14,22-23H,9-10,15-16H2,1-3H3;1H/q+1;/p-1/t22-,23-,28-;/m0./s1
InChIKey UMPNNLQQFDBIMX-UHFFFAOYSA-M
Mol Weight 510.43 g/mol
Molecular Formula C27H28BrNO4
Exact Mass 509.120171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G8e77nsadgO
Name 9-O-Methyl-N-benzylcaryachine N-methobromide
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H28BrNO4
InChI InChI=1S/C27H28NO4.BrH/c1-28(15-17-7-5-4-6-8-17)22-10-19-12-26-27(32-16-31-26)14-21(19)23(28)9-18-11-24(29-2)25(30-3)13-20(18)22;/h4-8,11-14,22-23H,9-10,15-16H2,1-3H3;1H/q+1;/p-1/t22-,23-,28-;/m0./s1
InChIKey UMPNNLQQFDBIMX-UHFFFAOYSA-M
Molecular Weight 510.428 g/mol
SMILES [Br-].[C@@]12([N@+]([C@@](Cc3cc4OCOc4cc23)(c2c(cc(c(c2)OC)OC)C1)[H])(Cc1ccccc1)C)[H]
SPLASH splash10-000l-9684100000-b2897d0dda88bbd4a9dc
Source of Spectrum H1-43-1409-0
Synonyms 20-benzyl-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
Wiley ID 757927