| SpectraBase Compound ID | 8U5v2TV6LnJ |
|---|---|
| InChI | InChI=1S/C9H10O4/c1-11-7-5-3-4-6-8(7)13-9(10)12-2/h3-6H,1-2H3 |
| InChIKey | BKYXETXNOBLCLF-UHFFFAOYSA-N |
| Mol Weight | 182.17 g/mol |
| Molecular Formula | C9H10O4 |
| Exact Mass | 182.057909 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KvqIaKyqTzV |
|---|---|
| Name | Guaiacol, o-methoxycarbonyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.057908798 u |
| Formula | C9H10O4 |
| InChI | InChI=1S/C9H10O4/c1-11-7-5-3-4-6-8(7)13-9(10)12-2/h3-6H,1-2H3 |
| InChIKey | BKYXETXNOBLCLF-UHFFFAOYSA-N |
| Molecular Weight | 182.175 g/mol |
| SMILES | C1(=CC=CC=C1OC(OC)=O)OC |