| SpectraBase Compound ID | 90Ncn68J7AI |
|---|---|
| InChI | InChI=1S/C14H16O3/c1-4-5-6-7-12(15)11-8-9(2)13(16)10(3)14(11)17/h4-8,16-17H,1-3H3/b5-4+,7-6+ |
| InChIKey | RKKPUBAAIGFXOG-YTXTXJHMSA-N |
| Mol Weight | 232.28 g/mol |
| Molecular Formula | C14H16O3 |
| Exact Mass | 232.109944 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2jw6pPQXRI |
|---|---|
| Name | 2,4-Hexadien-1-one, 1-(2,4-dihydroxy-3,5-dimethylphenyl)-, (E,E)- |
| CAS Registry Number | 79950-85-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C14H16O3 |
| InChI | InChI=1S/C14H16O3/c1-4-5-6-7-12(15)11-8-9(2)13(16)10(3)14(11)17/h4-8,16-17H,1-3H3/b5-4+,7-6+ |
| InChIKey | RKKPUBAAIGFXOG-YTXTXJHMSA-N |
| Molecular Weight | 232.279 g/mol |
| SMILES | Oc1c(c(c(cc1C(\C=C\C=C\C)=O)C)O)C |
| SPLASH | splash10-015c-6970000000-6e6e660b0568a07fee9c |
| Source of Spectrum | W5-1989-38258-27278 |
| Synonyms | (2E,4E)-1-(2,4-Dihydroxy-3,5-dimethylphenyl)-2,4-hexadien-1-one (2E,4E)-1-(2,4-dihydroxy-3,5-dimethyl-phenyl)hexa-2,4-dien-1-one (2E,4E)-1-(2,4-dihydroxy-3,5-dimethylphenyl)-1-hexa-2,4-dienone (2E,4E)-1-[3,5-dimethyl-2,4-bis(oxidanyl)phenyl]hexa-2,4-dien-1-one 2,4-Hexadien-1-one, 1-(2,4-dihydroxy-3,5-dimethylphenyl)-, (2E,4E)- 3-Hydroxy-2,4-dimethyl-6-(1-oxo-hexa-2,4-dienyl)phenol Osrbicilin Sorbicillin |
| Wiley ID | 1233919 |