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Benzamide, 2-bromo-N-octadecyl-

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

Benzamide, 2-bromo-N-octadecyl-
SpectraBase Compound ID 7HTWqBcUS45
InChI InChI=1S/C25H42BrNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-27-25(28)23-20-17-18-21-24(23)26/h17-18,20-21H,2-16,19,22H2,1H3,(H,27,28)
InChIKey ICAHDAKMZXYHQJ-UHFFFAOYSA-N
Mol Weight 452.5 g/mol
Molecular Formula C25H42BrNO
Exact Mass 451.244978 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JmB0KM7kPl1
Name Benzamide, 2-bromo-N-octadecyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 451.244977975 u
Formula C25H42BrNO
InChI InChI=1S/C25H42BrNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-27-25(28)23-20-17-18-21-24(23)26/h17-18,20-21H,2-16,19,22H2,1H3,(H,27,28)
InChIKey ICAHDAKMZXYHQJ-UHFFFAOYSA-N
Molecular Weight 452.521 g/mol
SMILES C1=C(C(=CC=C1)C(NCCCCCCCCCCCCCCCCCC)=O)Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.804014