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9-O-Methylcaryachine N-methobromide

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9-O-Methylcaryachine N-methobromide
SpectraBase Compound ID JkY3zI0j66b
InChI InChI=1S/C23H26NO4.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;/h5,9-12,18-19H,1,6-8,13H2,2-4H3;1H/q+1;/p-1/t18-,19-,24?;/m0./s1
InChIKey UWIUETBNJMXZLN-OCQRDTBVSA-M
Mol Weight 460.37 g/mol
Molecular Formula C23H26BrNO4
Exact Mass 459.104521 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6JQQgQcWKMG
Name 9-O-Methylcaryachine N-methobromide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H26BrNO4
InChI InChI=1S/C23H26NO4.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;/h5,9-12,18-19H,1,6-8,13H2,2-4H3;1H/q+1;/p-1/t18-,19-,24?;/m0./s1
InChIKey UWIUETBNJMXZLN-OCQRDTBVSA-M
Molecular Weight 460.368 g/mol
SMILES [Br-].[C@@]12([N+]([C@@](Cc3cc4OCOc4cc23)(c2c(cc(OC)c(c2)OC)C1)[H])(CC=C)C)[H]
SPLASH splash10-000i-0975000000-34d427b07a3bca868250
Source of Spectrum H1-43-1409-0
Wiley ID 757831