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Dibenzo[a,c]cycloheptatriene, (5H)-5-[3-(dimethylamino)propyl]-, methiodide
SpectraBase Compound ID 8IP7FaBuxg9
InChI InChI=1S/C21H26N.HI/c1-22(2,3)16-8-13-21-19-11-6-4-9-17(19)14-15-18-10-5-7-12-20(18)21;/h4-7,9-12,14-15,21H,8,13,16H2,1-3H3;1H/q+1;/p-1
InChIKey RNLBPOFHGYETCL-UHFFFAOYSA-M
Mol Weight 419.35 g/mol
Molecular Formula C21H26IN
Exact Mass 419.110995 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6bh41orqVyy
Name Dibenzo[a,c]cycloheptatriene, (5H)-5-[3-(dimethylamino)propyl]-, methiodide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26IN
InChI InChI=1S/C21H26N.HI/c1-22(2,3)16-8-13-21-19-11-6-4-9-17(19)14-15-18-10-5-7-12-20(18)21;/h4-7,9-12,14-15,21H,8,13,16H2,1-3H3;1H/q+1;/p-1
InChIKey RNLBPOFHGYETCL-UHFFFAOYSA-M
Molecular Weight 419.350 g/mol
SMILES [I-].c12C=Cc3c(cccc3)C(c1cccc2)CCC[N+](C)(C)C
SPLASH splash10-0a5c-9500000000-30e1227f609e12011baf
Synonyms 3-(5H-dibenzo[a,d]cyclohepten-5-yl)-N,N,n-trimethyl-1-propanaminium iodide
Wiley ID 1477916