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trans-5-[2-(hexahydro-1H-azepin-1-yl)vinyl]-1-p-tolyl-1H-tetrazole
SpectraBase Compound ID KxMr2TWR7En
InChI InChI=1S/C16H21N5/c1-14-6-8-15(9-7-14)21-16(17-18-19-21)10-13-20-11-4-2-3-5-12-20/h6-10,13H,2-5,11-12H2,1H3/b13-10+
InChIKey ZPFUFYTZBKSFSP-JLHYYAGUSA-N
Mol Weight 283.38 g/mol
Molecular Formula C16H21N5
Exact Mass 283.179696 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H136z3G7SqL
Name 1-((E)-2-[1-(4-Methylphenyl)-1H-tetraazol-5-yl]ethenyl)azepane
Alternate Name(s) 1-(4-Methylphenyl)-5-(2-hexahydro-1H-azepin-1-ylethenyl)-1H-tetrazole 1-[(E)-2-[1-(4-methylphenyl)-1,2,3,4-tetrazol-5-yl]ethenyl]azepane 1-[(E)-2-[1-(4-methylphenyl)-5-tetrazolyl]ethenyl]azepane 1-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]azepane 1-[(E)-2-[1-(p-tolyl)tetrazol-5-yl]vinyl]azepane Tetrazole, 5-[2-(1-perhydroazepinyl)ethenyl]-1-(4-methylphenyl)-
CAS Registry Number 299461-62-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21N5
InChI InChI=1S/C16H21N5/c1-14-6-8-15(9-7-14)21-16(17-18-19-21)10-13-20-11-4-2-3-5-12-20/h6-10,13H,2-5,11-12H2,1H3/b13-10+
InChIKey ZPFUFYTZBKSFSP-JLHYYAGUSA-N
Molecular Weight 283.379 g/mol
SMILES C1CCN(\C=C\c2[n](nnn2)-c2ccc(C)cc2)CCC1
SPLASH splash10-000x-9410000000-40bf460ee6ec4f8d8d27
Source of Spectrum AD-0-2532-0
Wiley ID 1431767