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Capryloylamide, N-(2-phenylethyl)-N-pentyl-

View entire compound with spectra: 1 NMR, and 1 FTIR

Capryloylamide, N-(2-phenylethyl)-N-pentyl-
SpectraBase Compound ID 3S3KI0fSSZB
InChI InChI=1S/C21H35NO/c1-3-5-7-8-12-16-21(23)22(18-13-6-4-2)19-17-20-14-10-9-11-15-20/h9-11,14-15H,3-8,12-13,16-19H2,1-2H3
InChIKey JDKPZOQJMDCIGU-UHFFFAOYSA-N
Mol Weight 317.5 g/mol
Molecular Formula C21H35NO
Exact Mass 317.271865 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6vdPp95CDYS
Name Capryloylamide, N-(2-phenylethyl)-N-pentyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 317.271864750 u
Formula C21H35NO
InChI InChI=1S/C21H35NO/c1-3-5-7-8-12-16-21(23)22(18-13-6-4-2)19-17-20-14-10-9-11-15-20/h9-11,14-15H,3-8,12-13,16-19H2,1-2H3
InChIKey JDKPZOQJMDCIGU-UHFFFAOYSA-N
Molecular Weight 317.517 g/mol
SMILES C1=CC=CC(=C1)CCN(C(=O)CCCCCCC)CCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.978288