| SpectraBase Compound ID | LnhCbUta5Z4 |
|---|---|
| InChI | InChI=1S/C9H12O4/c1-6(4-10)7-5-13-9(11)3-8(7)12-2/h3,5-6,10H,4H2,1-2H3 |
| InChIKey | WHUAFAYVVUYGNC-UHFFFAOYSA-N |
| Mol Weight | 184.19 g/mol |
| Molecular Formula | C9H12O4 |
| Exact Mass | 184.073559 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AHJYll6co97 |
|---|---|
| Name | Vertipyronol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H12O4 |
| InChI | InChI=1S/C9H12O4/c1-6(4-10)7-5-13-9(11)3-8(7)12-2/h3,5-6,10H,4H2,1-2H3 |
| InChIKey | WHUAFAYVVUYGNC-UHFFFAOYSA-N |
| Molecular Weight | 184.191 g/mol |
| SMILES | OCC(C=1C(=CC(OC1)=O)OC)C |
| SPLASH | splash10-0udi-0900000000-668cc306d559525909be |
| Source of Spectrum | X2-52-127-15 |
| Synonyms | 5-[1'-(Hydroxymethyl)ethyl]-4-methoxypyran-292H)-one |
| Wiley ID | 1603027 |