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3,4,5,6-tetrahydro-7-hexyl-2H-azepine

View entire compound with spectra: 1 MS (GC)

3,4,5,6-tetrahydro-7-hexyl-2H-azepine
SpectraBase Compound ID HVC7Qzrx6pC
InChI InChI=1S/C12H23N/c1-2-3-4-6-9-12-10-7-5-8-11-13-12/h2-11H2,1H3
InChIKey PZUZMRBHNLRCHS-UHFFFAOYSA-N
Mol Weight 181.32 g/mol
Molecular Formula C12H23N
Exact Mass 181.18305 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KkVr244F4S1
Name 3,4,5,6-tetrahydro-7-hexyl-2H-azepine
CAS Registry Number 116437-49-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H23N
InChI InChI=1S/C12H23N/c1-2-3-4-6-9-12-10-7-5-8-11-13-12/h2-11H2,1H3
InChIKey PZUZMRBHNLRCHS-UHFFFAOYSA-N
Molecular Weight 181.323 g/mol
SMILES C1(=NCCCCC1)CCCCCC
SPLASH splash10-03di-9400000000-16bcc9462fa4e85e9bcb
Source of Spectrum J-54-233-30
Synonyms 7-Hexyl-3,4,5,6-tetrahydro-2H-azepine
Wiley ID 1177695