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Benzamide, 3-bromo-N-pentyl-

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Benzamide, 3-bromo-N-pentyl-
SpectraBase Compound ID 5cBYymwTJGh
InChI InChI=1S/C12H16BrNO/c1-2-3-4-8-14-12(15)10-6-5-7-11(13)9-10/h5-7,9H,2-4,8H2,1H3,(H,14,15)
InChIKey FPVZVKLBFHUYOM-UHFFFAOYSA-N
Mol Weight 270.17 g/mol
Molecular Formula C12H16BrNO
Exact Mass 269.041527 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID wZ2mn9sz7p
Name Benzamide, 3-bromo-N-pentyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 269.041527138 u
Formula C12H16BrNO
InChI InChI=1S/C12H16BrNO/c1-2-3-4-8-14-12(15)10-6-5-7-11(13)9-10/h5-7,9H,2-4,8H2,1H3,(H,14,15)
InChIKey FPVZVKLBFHUYOM-UHFFFAOYSA-N
Molecular Weight 270.170 g/mol
SMILES C(NCCCCC)(=O)C=1C=CC=C(Br)C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.944123