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9-O-Benzyl-N-ethylcaryachine N-methoiodide

View entire compound with spectra: 1 MS (GC)

9-O-Benzyl-N-ethylcaryachine N-methoiodide
SpectraBase Compound ID EdzM4aWDZ3L
InChI InChI=1S/C28H30NO4.HI/c1-4-29(2)23-10-19-12-25(30-3)27(31-16-18-8-6-5-7-9-18)14-21(19)24(29)11-20-13-26-28(15-22(20)23)33-17-32-26;/h5-9,12-15,23-24H,4,10-11,16-17H2,1-3H3;1H/q+1;/p-1/t23-,24-,29+;/m0./s1
InChIKey LVFWDKXGFCUUFK-ILYIOISXSA-M
Mol Weight 571.46 g/mol
Molecular Formula C28H30INO4
Exact Mass 571.121953 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BZitJzhH331
Name 9-O-Benzyl-N-ethylcaryachine N-methoiodide
Alternate Name(s) 15-(benzyloxy)-20-ethyl-16-methoxy-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 iodide 9-O-Benzylcaryachine N-methoiodide
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Formula C28H30INO4
InChI InChI=1S/C28H30NO4.HI/c1-4-29(2)23-10-19-12-25(30-3)27(31-16-18-8-6-5-7-9-18)14-21(19)24(29)11-20-13-26-28(15-22(20)23)33-17-32-26;/h5-9,12-15,23-24H,4,10-11,16-17H2,1-3H3;1H/q+1;/p-1/t23-,24-,29+;/m0./s1
InChIKey LVFWDKXGFCUUFK-ILYIOISXSA-M
Molecular Weight 571.455 g/mol
SMILES [I-].[C@@]12([N@+]([C@@](Cc3cc4OCOc4cc23)(c2c(cc(c(c2)OCc2ccccc2)OC)C1)[H])(CC)C)[H]
SPLASH splash10-0ufu-4390700000-24d82f2a8bdf88d6f69d
Source of Spectrum H1-43-1409-0
Wiley ID 757929