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7-Chloranyl-3-(2-methoxyphenyl)-1-methyl-xanthen-9-one

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

7-Chloranyl-3-(2-methoxyphenyl)-1-methyl-xanthen-9-one
SpectraBase Compound ID 1MP3IpP64d8
InChI InChI=1S/C21H15ClO3/c1-12-9-13(15-5-3-4-6-17(15)24-2)10-19-20(12)21(23)16-11-14(22)7-8-18(16)25-19/h3-11H,1-2H3
InChIKey KAJWUGKEIBIJGE-UHFFFAOYSA-N
Mol Weight 350.8 g/mol
Molecular Formula C21H15ClO3
Exact Mass 350.070972 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7eEN45kInIP
Name 7-Chloranyl-3-(2-methoxyphenyl)-1-methyl-xanthen-9-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 350.070972040 u
Formula C21H15ClO3
InChI InChI=1S/C21H15ClO3/c1-12-9-13(15-5-3-4-6-17(15)24-2)10-19-20(12)21(23)16-11-14(22)7-8-18(16)25-19/h3-11H,1-2H3
InChIKey KAJWUGKEIBIJGE-UHFFFAOYSA-N
Molecular Weight 350.801 g/mol
SMILES C1(C2=C(C=C(C=C2C)C=2C(OC)=CC=CC2)OC2=C1C=C(C=C2)Cl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.867662