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1-(2-Iodobenzyl)hexahydroazepine

View entire compound with spectra: 2 MS (GC)

1-(2-Iodobenzyl)hexahydroazepine
SpectraBase Compound ID 2x287r4TA3l
InChI InChI=1S/C13H18IN/c14-13-8-4-3-7-12(13)11-15-9-5-1-2-6-10-15/h3-4,7-8H,1-2,5-6,9-11H2
InChIKey OSBVGXXGVYVHLY-UHFFFAOYSA-N
Mol Weight 315.2 g/mol
Molecular Formula C13H18IN
Exact Mass 315.048395 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ewAs9P21o
Name 1-(2-Iodobenzyl)hexahydroazepine
Alternate Name(s) 1-(2-iodobenzyl)hexahydro-1H-azepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18IN
InChI InChI=1S/C13H18IN/c14-13-8-4-3-7-12(13)11-15-9-5-1-2-6-10-15/h3-4,7-8H,1-2,5-6,9-11H2
InChIKey OSBVGXXGVYVHLY-UHFFFAOYSA-N
Molecular Weight 315.198 g/mol
SMILES c1(CN2CCCCCC2)c(I)cccc1
SPLASH splash10-014i-0396000000-43c64f638b1b3fea4fd1
Source of Spectrum F-50-13702-5a
Wiley ID 1676447