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3,4-Dibromo-10-chloro-2,5-dimethoxybenzo-[B]-xanthone

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

3,4-Dibromo-10-chloro-2,5-dimethoxybenzo-[B]-xanthone
SpectraBase Compound ID EpoM4pGVhsK
InChI InChI=1S/C19H11Br2ClO4/c1-24-18-9-6-12-14(7-10(9)19(25-2)16(21)15(18)20)26-13-4-3-8(22)5-11(13)17(12)23/h3-7H,1-2H3
InChIKey DLHMVRNEELWXNC-UHFFFAOYSA-N
Mol Weight 498.55 g/mol
Molecular Formula C19H11Br2ClO4
Exact Mass 495.871263 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4jyEoCtfeEO
Name 3,4-Dibromo-10-chloro-2,5-dimethoxybenzo-[B]-xanthone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 495.871262530 u
Formula C19H11Br2ClO4
InChI InChI=1S/C19H11Br2ClO4/c1-24-18-9-6-12-14(7-10(9)19(25-2)16(21)15(18)20)26-13-4-3-8(22)5-11(13)17(12)23/h3-7H,1-2H3
InChIKey DLHMVRNEELWXNC-UHFFFAOYSA-N
Molecular Weight 498.554 g/mol
SMILES C1(OC)=C2C=C3C(=CC2=C(C(=C1Br)Br)OC)OC1=CC=C(Cl)C=C1C3=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.893243