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1,4-Naphthalenedione, 2-(1-bromoethyl)-3-chloro-

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

1,4-Naphthalenedione, 2-(1-bromoethyl)-3-chloro-
SpectraBase Compound ID 9jspMaE8Uzm
InChI InChI=1S/C12H8BrClO2/c1-6(13)9-10(14)12(16)8-5-3-2-4-7(8)11(9)15/h2-6H,1H3
InChIKey CGTDOQMDENWXLN-UHFFFAOYSA-N
Mol Weight 299.55 g/mol
Molecular Formula C12H8BrClO2
Exact Mass 297.93962 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID B529wCj93mq
Name 1,4-Naphthalenedione, 2-(1-bromoethyl)-3-chloro-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 297.939620196 u
Formula C12H8BrClO2
InChI InChI=1S/C12H8BrClO2/c1-6(13)9-10(14)12(16)8-5-3-2-4-7(8)11(9)15/h2-6H,1H3
InChIKey CGTDOQMDENWXLN-UHFFFAOYSA-N
Molecular Weight 299.551 g/mol
SMILES C1(=C(C(=O)C2=C(C1=O)C=CC=C2)Cl)C(Br)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.949957