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Bismethiodide of Haliclonacyclamine A

View entire compound with spectra: 1 MS (GC)

Bismethiodide of Haliclonacyclamine A
SpectraBase Compound ID 9qIe1ugZcNF
InChI InChI=1S/C34H62N2.HI/c1-29-17-11-8-9-13-20-32-27-35-22-15-10-6-4-3-5-7-12-19-31-25-33(34(32)21-24-35)28-36(26-31)23-16-14-18-30(29)2;/h3-4,29-34H,5-28H2,1-2H3;1H/p-1/b4-3-;/t29?,30?,31-,32+,33+,34-;/m0./s1
InChIKey IZHZALYMDYRFIN-WDGULCRBSA-M
Mol Weight 625.8 g/mol
Molecular Formula C34H62IN2
Exact Mass 625.39577 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ABKR6ZSUFbq
Name Bismethiodide of Haliclonacyclamine A
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H62IN2
InChI InChI=1S/C34H62N2.HI/c1-29-17-11-8-9-13-20-32-27-35-22-15-10-6-4-3-5-7-12-19-31-25-33(34(32)21-24-35)28-36(26-31)23-16-14-18-30(29)2;/h3-4,29-34H,5-28H2,1-2H3;1H/p-1/b4-3-;/t29?,30?,31-,32+,33+,34-;/m0./s1
InChIKey IZHZALYMDYRFIN-WDGULCRBSA-M
Molecular Weight 625.788 g/mol
SMILES [I-].[C@]12([C@@]3([C@]4(CN(CC3)CCCC\C=C/CCCC[C@](C1)([H])CN(C2)CCCCC(C(C)CCCCCC4)C)[H])[H])[H]
SPLASH splash10-0160-0090903000-b8f8a37afbb495dd0e21
Source of Spectrum F-52-9118-3
Wiley ID 797349