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N-(2,5-Dibromo-1,2,3,4-tetrahydro-1-oxonaphthalen-6-yl)acetamide

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

N-(2,5-Dibromo-1,2,3,4-tetrahydro-1-oxonaphthalen-6-yl)acetamide
SpectraBase Compound ID EvV3RVt35QP
InChI InChI=1S/C12H11Br2NO2/c1-6(16)15-10-5-3-8-7(11(10)14)2-4-9(13)12(8)17/h3,5,9H,2,4H2,1H3,(H,15,16)
InChIKey STXHACWFTOBDDG-UHFFFAOYSA-N
Mol Weight 361.03 g/mol
Molecular Formula C12H11Br2NO2
Exact Mass 358.915655 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID I5UCcy3dy0H
Name N-(2,5-Dibromo-1,2,3,4-tetrahydro-1-oxonaphthalen-6-yl)acetamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 358.915654596 u
Formula C12H11Br2NO2
InChI InChI=1S/C12H11Br2NO2/c1-6(16)15-10-5-3-8-7(11(10)14)2-4-9(13)12(8)17/h3,5,9H,2,4H2,1H3,(H,15,16)
InChIKey STXHACWFTOBDDG-UHFFFAOYSA-N
Molecular Weight 361.033 g/mol
SMILES C1=2C(=C(Br)C(=CC2)NC(=O)C)CCC(C1=O)Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.863671