| SpectraBase Compound ID | m1XLVxqLUh |
|---|---|
| InChI | InChI=1S/C9H8O4/c1-13-9(12)7-5-3-2-4-6(7)8(10)11/h2-5H,1H3,(H,10,11) |
| InChIKey | FNJSWIPFHMKRAT-UHFFFAOYSA-N |
| Mol Weight | 180.16 g/mol |
| Molecular Formula | C9H8O4 |
| Exact Mass | 180.042259 g/mol |
13C Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 3Z0sCS6hwM9 |
|---|---|
| Name | mono-Methyl phthalate |
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Catalog Number | 317640 |
| CAS Registry Number | 4376-18-5 |
| 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/c1-13-9(12)7-5-3-2-4-6(7)8(10)11/h2-5H,1H3,(H,10,11) |
| InChIKey | FNJSWIPFHMKRAT-UHFFFAOYSA-N |
| Observed nucleus | 13C |
| Purity | 97% |
| Solvent | CDCl3 & DMSO-d6 |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Synonyms | Monomethyl phthalate |
| Wiley ID | SIAL_13CNMR_006327 |