SpectraBase Compound ID | BVczXuri00p |
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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 |
SpectraBase Spectrum ID | 9PFofJsxUlx |
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Name | Phenylmalonic acid |
Source of Sample | Sigma-Aldrich Co. LLC. |
Catalog Number | 160369 |
CAS Registry Number | 2613-89-0 |
Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 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 |
Observed nucleus | 1H |
Purity | 98% |
Solvent | CDCl3 & DMSO-d6 |
Source of Spectrum | Sigma-Aldrich Co. LLC. |
Wiley ID | SIAL_1HNMR_001832 |