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N-Methyl-N-benzyl-8-azacyclo[3.2.1]hept-6-enium iodide

View entire compound with spectra: 1 MS (GC)

N-Methyl-N-benzyl-8-azacyclo[3.2.1]hept-6-enium iodide
SpectraBase Compound ID EbJFSobWtQ8
InChI InChI=1S/C15H20N.HI/c1-16(12-13-6-3-2-4-7-13)14-8-5-9-15(16)11-10-14;/h2-4,6-7,10-11,14-15H,5,8-9,12H2,1H3;1H/q+1;/p-1/t14-,15+,16+;
InChIKey IJGPQBWRMSMOTC-CNKDKAJDSA-M
Mol Weight 341.24 g/mol
Molecular Formula C15H20IN
Exact Mass 341.064045 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2mzb0JXQmG
Name N-Methyl-N-benzyl-8-azacyclo[3.2.1]hept-6-enium iodide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20IN
InChI InChI=1S/C15H20N.HI/c1-16(12-13-6-3-2-4-7-13)14-8-5-9-15(16)11-10-14;/h2-4,6-7,10-11,14-15H,5,8-9,12H2,1H3;1H/q+1;/p-1/t14-,15+,16+;
InChIKey IJGPQBWRMSMOTC-CNKDKAJDSA-M
Molecular Weight 341.236 g/mol
SMILES [I-].[C@@]12([N@+]([C@@](C=C2)(CCC1)[H])(Cc1ccccc1)C)[H]
SPLASH splash10-0udi-0490000000-151475390c9f3cfebec6
Source of Spectrum F-54-10912-19
Wiley ID 808823