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Benzoic acid, 2-(6-methoxy-3-oxo-3H-xanthen-9-yl)-, methyl ester

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

Benzoic acid, 2-(6-methoxy-3-oxo-3H-xanthen-9-yl)-, methyl ester
SpectraBase Compound ID DyhEtxImQvb
InChI InChI=1S/C22H16O5/c1-25-14-8-10-18-20(12-14)27-19-11-13(23)7-9-17(19)21(18)15-5-3-4-6-16(15)22(24)26-2/h3-12H,1-2H3
InChIKey SCINGBPOWJHSNZ-UHFFFAOYSA-N
Mol Weight 360.37 g/mol
Molecular Formula C22H16O5
Exact Mass 360.099774 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID t2XXIehfEf
Name Benzoic acid, 2-(6-methoxy-3-oxo-3H-xanthen-9-yl)-, methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.099773610 u
Formula C22H16O5
InChI InChI=1S/C22H16O5/c1-25-14-8-10-18-20(12-14)27-19-11-13(23)7-9-17(19)21(18)15-5-3-4-6-16(15)22(24)26-2/h3-12H,1-2H3
InChIKey SCINGBPOWJHSNZ-UHFFFAOYSA-N
Molecular Weight 360.365 g/mol
SMILES C1=CC(C(OC)=O)=C(C=C1)C1=C2C=CC(=O)C=C2OC=2C1=CC=C(C2)OC