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(E)-7-bromo-5,5-dimethylhept-6-enamide

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

(E)-7-bromo-5,5-dimethylhept-6-enamide
SpectraBase Compound ID Iqkp7qocMtw
InChI InChI=1S/C9H16BrNO/c1-9(2,6-7-10)5-3-4-8(11)12/h6-7H,3-5H2,1-2H3,(H2,11,12)/b7-6+
InChIKey LZSJDKAECSOOKX-VOTSOKGWSA-N
Mol Weight 234.14 g/mol
Molecular Formula C9H16BrNO
Exact Mass 233.041527 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1aGlzbLit3e
Name (E)-7-Bromo-5,5-dimethylhept-6-enamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 233.041527138 u
Formula C9H16BrNO
InChI InChI=1S/C9H16BrNO/c1-9(2,6-7-10)5-3-4-8(11)12/h6-7H,3-5H2,1-2H3,(H2,11,12)/b7-6+
InChIKey LZSJDKAECSOOKX-VOTSOKGWSA-N
Molecular Weight 234.137 g/mol
SMILES C(CCC(N)=O)C(\C=C\Br)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.952715