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Octanamide, N-benzyl-N-heptyl-

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

Octanamide, N-benzyl-N-heptyl-
SpectraBase Compound ID DOk8Du3B9HB
InChI InChI=1S/C22H37NO/c1-3-5-7-9-14-18-22(24)23(19-15-10-8-6-4-2)20-21-16-12-11-13-17-21/h11-13,16-17H,3-10,14-15,18-20H2,1-2H3
InChIKey ZQTPOTJMRPPUPL-UHFFFAOYSA-N
Mol Weight 331.5 g/mol
Molecular Formula C22H37NO
Exact Mass 331.287515 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7d5l5dpjnd6
Name Octanamide, N-benzyl-N-heptyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 331.287514814 u
Formula C22H37NO
InChI InChI=1S/C22H37NO/c1-3-5-7-9-14-18-22(24)23(19-15-10-8-6-4-2)20-21-16-12-11-13-17-21/h11-13,16-17H,3-10,14-15,18-20H2,1-2H3
InChIKey ZQTPOTJMRPPUPL-UHFFFAOYSA-N
Molecular Weight 331.544 g/mol
SMILES C(N(CCCCCCC)CC1=CC=CC=C1)(=O)CCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.941394