| SpectraBase Compound ID | 7bPhkdZ84yU |
|---|---|
| InChI | InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3 |
| InChIKey | QPJVMBTYPHYUOC-UHFFFAOYSA-N |
| Mol Weight | 136.15 g/mol |
| Molecular Formula | C8H8O2 |
| Exact Mass | 136.052429 g/mol |
17O Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LS7IPoS4ZhM |
|---|---|
| Name | Benzoic acid, methyl ester |
| CAS Registry Number | 93-58-3 |
| Comments | enrichment/labelling |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C8H8O2 |
| InChI | InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3 |
| InChIKey | QPJVMBTYPHYUOC-UHFFFAOYSA-N |
| Instrument Name | SF = 270 MHz |
| Literature Reference | Org. Magn. Resonance 22, 753 (1984). |
| NMR Standard | not reported |
| Observed nucleus | 17O |
| Solvent | Acetone |