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1,5-Diazacyclotridecan-6-one, 5-(phenylmethyl)-

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

1,5-Diazacyclotridecan-6-one, 5-(phenylmethyl)-
SpectraBase Compound ID 4kG86tC1L6M
InChI InChI=1S/C18H28N2O/c21-18-12-7-2-1-3-8-13-19-14-9-15-20(18)16-17-10-5-4-6-11-17/h4-6,10-11,19H,1-3,7-9,12-16H2
InChIKey RMNRZDMMMYTCBY-UHFFFAOYSA-N
Mol Weight 288.44 g/mol
Molecular Formula C18H28N2O
Exact Mass 288.220164 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID K7xyuRTJpD4
Name 1,5-Diazacyclotridecan-6-one, 5-(phenylmethyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 288.220163529 u
Formula C18H28N2O
InChI InChI=1S/C18H28N2O/c21-18-12-7-2-1-3-8-13-19-14-9-15-20(18)16-17-10-5-4-6-11-17/h4-6,10-11,19H,1-3,7-9,12-16H2
InChIKey RMNRZDMMMYTCBY-UHFFFAOYSA-N
SMILES C1(N(CCCNCCCCCCC1)CC=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.965586