| SpectraBase Compound ID | IKCeyLBkyee |
|---|---|
| InChI | InChI=1S/C13H18O3/c1-13(2,3)9-6-7-10(12(14)16-5)11(8-9)15-4/h6-8H,1-5H3 |
| InChIKey | BEXRFEZXJABPEZ-UHFFFAOYSA-N |
| Mol Weight | 222.28 g/mol |
| Molecular Formula | C13H18O3 |
| Exact Mass | 222.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JeXsnXxwldg |
|---|---|
| Name | Benzoic acid, 4-(1,1-dimethylethyl)-2-methoxy-, methyl ester |
| CAS Registry Number | 117726-62-2 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C13H18O3 |
| InChI | InChI=1S/C13H18O3/c1-13(2,3)9-6-7-10(12(14)16-5)11(8-9)15-4/h6-8H,1-5H3 |
| InChIKey | BEXRFEZXJABPEZ-UHFFFAOYSA-N |
| Instrument Name | Bruker WM-360 |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |