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2-[4-[(1,3-Diketoindan-2-ylidene)methyl]-2-methoxy-phenoxy]acetic acid
SpectraBase Compound ID BSMYa1BT1oD
InChI InChI=1S/C19H14O6/c1-24-16-9-11(6-7-15(16)25-10-17(20)21)8-14-18(22)12-4-2-3-5-13(12)19(14)23/h2-9H,10H2,1H3,(H,20,21)
InChIKey RSOCXHAEYSIWMY-UHFFFAOYSA-N
Mol Weight 338.32 g/mol
Molecular Formula C19H14O6
Exact Mass 338.079038 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FuxoBzEhbyC
Name 2-[4-[(1,3-Diketoindan-2-ylidene)methyl]-2-methoxy-phenoxy]acetic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 338.079038165 u
Formula C19H14O6
InChI InChI=1S/C19H14O6/c1-24-16-9-11(6-7-15(16)25-10-17(20)21)8-14-18(22)12-4-2-3-5-13(12)19(14)23/h2-9H,10H2,1H3,(H,20,21)
InChIKey RSOCXHAEYSIWMY-UHFFFAOYSA-N
Molecular Weight 338.315 g/mol
SMILES C1(C(C=2C=CC=CC2C1=O)=O)=CC=1C=C(OC)C(=CC1)OCC(=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.931332