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Propenone, 3-(4-bromophenyl)-1-(benzo[b]-1,4-dioxan-6-yl)-

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

Propenone, 3-(4-bromophenyl)-1-(benzo[b]-1,4-dioxan-6-yl)-
SpectraBase Compound ID Lt3Mtw8Srtg
InChI InChI=1S/C17H13BrO3/c18-14-5-1-12(2-6-14)3-7-15(19)13-4-8-16-17(11-13)21-10-9-20-16/h1-8,11H,9-10H2/b7-3+
InChIKey JTGBZIJCASWRRL-XVNBXDOJSA-N
Mol Weight 345.19 g/mol
Molecular Formula C17H13BrO3
Exact Mass 344.004807 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HWEY2WWEAcW
Name Propenone, 3-(4-bromophenyl)-1-(benzo[B]-1,4-dioxan-6-yl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 344.004807276 u
Formula C17H13BrO3
InChI InChI=1S/C17H13BrO3/c18-14-5-1-12(2-6-14)3-7-15(19)13-4-8-16-17(11-13)21-10-9-20-16/h1-8,11H,9-10H2/b7-3+
InChIKey JTGBZIJCASWRRL-XVNBXDOJSA-N
Molecular Weight 345.192 g/mol
SMILES C(\C=C\C=1C=CC(=CC1)Br)(C=1C=C2OCCOC2=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.907663