| SpectraBase Compound ID | 3gYqu9q8Kxa |
|---|---|
| InChI | InChI=1S/C9H10O4/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5,10H,1-2H3 |
| InChIKey | BVWTXUYLKBHMOX-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 | 3HfllgaWKka |
|---|---|
| Name | VANILLIC ACID, METHYL ESTER |
| Source of Sample | Fluka AG, Buchs, Switzerland |
| Boiling Point | 118C/2mm |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H10O4 |
| InChI | InChI=1S/C9H10O4/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5,10H,1-2H3 |
| InChIKey | BVWTXUYLKBHMOX-UHFFFAOYSA-N |
| Melting Point | 63-64C |
| Molecular Weight | 182.18 |
| Solvent | Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20 |