| SpectraBase Compound ID | 8hw2kAJFhqt |
|---|---|
| InChI | InChI=1S/C9H10O3/c1-3-8(10)6-4-5-7-9(11)12-2/h3-7H,1H2,2H3/b6-4+,7-5+ |
| InChIKey | NTIVYSNDDZJQFU-YDFGWWAZSA-N |
| Mol Weight | 166.18 g/mol |
| Molecular Formula | C9H10O3 |
| Exact Mass | 166.062994 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8qCU3Ab1rF5 |
|---|---|
| Name | 2,4,7-Octatrienoic acid, 6-oxo-, methyl ester, (E,E)- |
| CAS Registry Number | 113811-32-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H10O3 |
| InChI | InChI=1S/C9H10O3/c1-3-8(10)6-4-5-7-9(11)12-2/h3-7H,1H2,2H3/b6-4+,7-5+ |
| InChIKey | NTIVYSNDDZJQFU-YDFGWWAZSA-N |
| Molecular Weight | 166.176 g/mol |
| SMILES | C(\C=C\C=C\C(C=C)=O)(=O)OC |
| SPLASH | splash10-0a4i-3900000000-e0bfdd40a3772f04a507 |
| Source of Spectrum | J-53-2097-10 |
| Wiley ID | 1162324 |