| SpectraBase Compound ID | JYqLH6BztvX |
|---|---|
| InChI | InChI=1S/C12H14O4/c1-12(2,3)9-5-7(10(13)14)4-8(6-9)11(15)16/h4-6H,1-3H3,(H,13,14)(H,15,16) |
| InChIKey | BJLUCDZIWWSFIB-UHFFFAOYSA-N |
| Mol Weight | 222.24 g/mol |
| Molecular Formula | C12H14O4 |
| Exact Mass | 222.089209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 5otVSQo5v0D |
|---|---|
| Name | 5-tert-Butylisophthalic acid |
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Catalog Number | 362514 |
| CAS Registry Number | 2359-09-3 |
| Copyright | Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H14O4 |
| InChI | 1S/C12H14O4/c1-12(2,3)9-5-7(10(13)14)4-8(6-9)11(15)16/h4-6H,1-3H3,(H,13,14)(H,15,16) |
| InChIKey | BJLUCDZIWWSFIB-UHFFFAOYSA-N |
| Observed nucleus | 13C |
| Purity | 98% |
| Solvent | DMSO-d6 |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Wiley ID | SIAL_13CNMR_007569 |