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Adamantane-1-carboxamide, N-benzyl-N-octyl-

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

Adamantane-1-carboxamide, N-benzyl-N-octyl-
SpectraBase Compound ID HNSZcG1bhk6
InChI InChI=1S/C26H39NO/c1-2-3-4-5-6-10-13-27(20-21-11-8-7-9-12-21)25(28)26-17-22-14-23(18-26)16-24(15-22)19-26/h7-9,11-12,22-24H,2-6,10,13-20H2,1H3/t22-,23+,24-,26-
InChIKey PAPZOMRYJBVFGI-HKIBFUSASA-N
Mol Weight 381.6 g/mol
Molecular Formula C26H39NO
Exact Mass 381.303165 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9tYJ8ji5UEu
Name Adamantane-1-carboxamide, N-benzyl-N-octyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 381.303164879 u
Formula C26H39NO
InChI InChI=1S/C26H39NO/c1-2-3-4-5-6-10-13-27(20-21-11-8-7-9-12-21)25(28)26-17-22-14-23(18-26)16-24(15-22)19-26/h7-9,11-12,22-24H,2-6,10,13-20H2,1H3/t22-,23+,24-,26-
InChIKey PAPZOMRYJBVFGI-HKIBFUSASA-N
Molecular Weight 381.604 g/mol
SMILES C12(C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])C(N(CC=1C=CC=CC1)CCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.886433