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3-(2-Keto-7-methoxy-chromen-8-yl)-2,2-dimethyl-propionic acid

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

3-(2-Keto-7-methoxy-chromen-8-yl)-2,2-dimethyl-propionic acid
SpectraBase Compound ID 1ghZV04yZLB
InChI InChI=1S/C15H16O5/c1-15(2,14(17)18)8-10-11(19-3)6-4-9-5-7-12(16)20-13(9)10/h4-7H,8H2,1-3H3,(H,17,18)
InChIKey ZQUZRUKMDMKRRB-UHFFFAOYSA-N
Mol Weight 276.29 g/mol
Molecular Formula C15H16O5
Exact Mass 276.099774 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID K3XMe80VBUS
Name 3-(2-Keto-7-methoxy-chromen-8-yl)-2,2-dimethyl-propionic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 276.099773610 u
Formula C15H16O5
InChI InChI=1S/C15H16O5/c1-15(2,14(17)18)8-10-11(19-3)6-4-9-5-7-12(16)20-13(9)10/h4-7H,8H2,1-3H3,(H,17,18)
InChIKey ZQUZRUKMDMKRRB-UHFFFAOYSA-N
Molecular Weight 276.288 g/mol
SMILES C=1(C=2OC(=O)C=CC2C=CC1OC)CC(C(=O)O)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.865144