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1-Methyl-8-(2-phenylethyl)azocan-2-one

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

1-Methyl-8-(2-phenylethyl)azocan-2-one
SpectraBase Compound ID E1V8N4sInbD
InChI InChI=1S/C16H23NO/c1-17-15(10-6-3-7-11-16(17)18)13-12-14-8-4-2-5-9-14/h2,4-5,8-9,15H,3,6-7,10-13H2,1H3
InChIKey IAHRDSDBQVTBJY-UHFFFAOYSA-N
Mol Weight 245.37 g/mol
Molecular Formula C16H23NO
Exact Mass 245.177964 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID A1FUSKiQCJU
Name 1-Methyl-8-(2-phenylethyl)azocan-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 245.177964364 u
Formula C16H23NO
InChI InChI=1S/C16H23NO/c1-17-15(10-6-3-7-11-16(17)18)13-12-14-8-4-2-5-9-14/h2,4-5,8-9,15H,3,6-7,10-13H2,1H3
InChIKey IAHRDSDBQVTBJY-UHFFFAOYSA-N
Molecular Weight 245.366 g/mol
SMILES C1(N(C(CCCCC1)CCC1=CC=CC=C1)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.811392