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Phenylmalonic acid

View entire compound with spectra: 3 NMR, 3 FTIR, 1 Raman, and 2 MS (GC)

Phenylmalonic acid
SpectraBase Compound ID BVczXuri00p
InChI InChI=1S/C9H8O4/c10-8(11)7(9(12)13)6-4-2-1-3-5-6/h1-5,7H,(H,10,11)(H,12,13)
InChIKey WWYDYZMNFQIYPT-UHFFFAOYSA-N
Mol Weight 180.16 g/mol
Molecular Formula C9H8O4
Exact Mass 180.042259 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID KJcPbMj0foV
Name Phenylmalonic acid
Source of Sample Aldrich
Catalog Number 160369
CAS Registry Number 2613-89-0
Classification Aromatic carboxylic acids
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8O4
InChI InChI=1S/C9H8O4/c10-8(11)7(9(12)13)6-4-2-1-3-5-6/h1-5,7H,(H,10,11)(H,12,13)
InChIKey WWYDYZMNFQIYPT-UHFFFAOYSA-N
Purity 98%
Solvent Nujol
Source of Spectrum Sigma-Aldrich Co. LLC.
Technique Mull
Wiley ID SIAL_FTIR_1_1896