| SpectraBase Compound ID | KjKDuI1Oo9C |
|---|---|
| InChI | InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3 |
| InChIKey | MWOOGOJBHIARFG-UHFFFAOYSA-N |
| Mol Weight | 152.15 g/mol |
| Molecular Formula | C8H8O3 |
| Exact Mass | 152.047344 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1sjJjzSMliJ |
|---|---|
| Name | Vanillin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H8O3 |
| InChI | InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3 |
| InChIKey | MWOOGOJBHIARFG-UHFFFAOYSA-N |
| Instrument Name | VG-Autospec EQ |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/jsfa.1991 |
| Molecular Weight | 152.149 g/mol |
| SMILES | Oc1ccc(cc1OC)C=O |
| SPLASH | splash10-0udi-4900000000-8ba6aa8b749ff2fcfbd0 |
| Source of Spectrum | SFA-85-348-Table 1-8 |
| Wiley ID | 1840197 |