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(E)-1-pentyl-3-(4,4,5,5-tetramethyldihydrofuran-2(3H)-ylidene)-3H-indol-1-ium chloride
SpectraBase Compound ID Ed3okSY2D4l
InChI InChI=1S/C21H30NO.ClH/c1-6-7-10-13-22-15-17(16-11-8-9-12-18(16)22)19-14-20(2,3)21(4,5)23-19;/h8-9,11-12,15H,6-7,10,13-14H2,1-5H3;1H/q+1;/p-1/b19-17-;
InChIKey HOQRNHPSVTWVPY-HGMLFDQWSA-M
Mol Weight 347.93 g/mol
Molecular Formula C21H30ClNO
Exact Mass 347.201592 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FDNgasSyLNJ
Name (E)-1-pentyl-3-(4,4,5,5-tetramethyldihydrofuran-2(3H)-ylidene)-3H-indol-1-ium chloride
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Formula C21H30ClNO
InChI InChI=1S/C21H30NO.ClH/c1-6-7-10-13-22-15-17(16-11-8-9-12-18(16)22)19-14-20(2,3)21(4,5)23-19;/h8-9,11-12,15H,6-7,10,13-14H2,1-5H3;1H/q+1;/p-1/b19-17-;
InChIKey HOQRNHPSVTWVPY-HGMLFDQWSA-M
Molecular Weight 347.930 g/mol
SMILES [Cl-].c12c([N+](=C\C2=C\2CC(C(O2)(C)C)(C)C)CCCCC)cccc1
SPLASH splash10-0002-0491000000-86502458bd1b8b77f7e4
Source of Spectrum Vadim Shevyrin, et al. Forensic Science International, V.226, 2013, P.62-73
Wiley ID 1816173