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(2-Methyl-1,3-dioxo-indan-2-yl)-acetic acid

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

(2-Methyl-1,3-dioxo-indan-2-yl)-acetic acid
SpectraBase Compound ID Is1S07NZomv
InChI InChI=1S/C12H10O4/c1-12(6-9(13)14)10(15)7-4-2-3-5-8(7)11(12)16/h2-5H,6H2,1H3,(H,13,14)
InChIKey FDXLVVDSQNSDGB-UHFFFAOYSA-N
Mol Weight 218.21 g/mol
Molecular Formula C12H10O4
Exact Mass 218.057909 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID C8flsm0rUoe
Name (2-Methyl-1,3-dioxo-indan-2-yl)-acetic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 218.057908798 u
Formula C12H10O4
InChI InChI=1S/C12H10O4/c1-12(6-9(13)14)10(15)7-4-2-3-5-8(7)11(12)16/h2-5H,6H2,1H3,(H,13,14)
InChIKey FDXLVVDSQNSDGB-UHFFFAOYSA-N
Molecular Weight 218.208 g/mol
SMILES C1(=O)C(CC(O)=O)(C(C=2C1=CC=CC2)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.848036