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3-Bromo-2-phenylnaphtho[2,1-b]pyran-4-one
SpectraBase Compound ID 3ZlsoVEp5sE
InChI InChI=1S/C19H11BrO2/c20-17-18(21)16-14-9-5-4-6-12(14)10-11-15(16)22-19(17)13-7-2-1-3-8-13/h1-11H
InChIKey KTKNXCCRQCSKBG-UHFFFAOYSA-N
Mol Weight 351.2 g/mol
Molecular Formula C19H11BrO2
Exact Mass 349.994243 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Ejl5EHw2r5s
Name 3-Bromo-2-phenylnaphtho[2,1-B]pyran-4-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 349.994242592 u
Formula C19H11BrO2
InChI InChI=1S/C19H11BrO2/c20-17-18(21)16-14-9-5-4-6-12(14)10-11-15(16)22-19(17)13-7-2-1-3-8-13/h1-11H
InChIKey KTKNXCCRQCSKBG-UHFFFAOYSA-N
Molecular Weight 351.199 g/mol
SMILES C=1(C(C=2C3=C(C=CC=C3)C=CC2OC1C1=CC=CC=C1)=O)Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.940356