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1-(3-Phenylpropyl)azepane
SpectraBase Compound ID 3rPfICZE1XM
InChI InChI=1S/C15H23N/c1-2-7-13-16(12-6-1)14-8-11-15-9-4-3-5-10-15/h3-5,9-10H,1-2,6-8,11-14H2
InChIKey NBFDYNMJHWYTFH-UHFFFAOYSA-N
Mol Weight 217.36 g/mol
Molecular Formula C15H23N
Exact Mass 217.18305 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5WocLkkjhUO
Name 1-(3-Phenylpropyl)azepane
Classification Phenethylamine homolog
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 217.183049745 u
Formula C15H23N
InChI InChI=1S/C15H23N/c1-2-7-13-16(12-6-1)14-8-11-15-9-4-3-5-10-15/h3-5,9-10H,1-2,6-8,11-14H2
InChIKey NBFDYNMJHWYTFH-UHFFFAOYSA-N
Ionization Type Chemical Ionization (CI)
Molecular Weight 217.356 g/mol
Nominal Mass 217 u
Reagent Gas Methanol
Retention Index 1686
SMILES C=1(CCCN2CCCCCC2)C=CC=CC1
SPLASH splash10-016r-8190000000-dcef2adf585b0df55312
Source of Spectrum DigiLab GmbH (C) 2024
Technique GC/MS
Wiley ID DD2024_010140