| SpectraBase Compound ID | LlCce0dGI2v |
|---|---|
| InChI | InChI=1S/C11H19NO/c1-10(2)6-5-7-11(3)8-9-12-13-4/h6,8-9H,5,7H2,1-4H3/b11-8+,12-9- |
| InChIKey | SKTBLMLVYQJMNW-OJOCYUAFSA-N |
| Mol Weight | 181.28 g/mol |
| Molecular Formula | C11H19NO |
| Exact Mass | 181.146664 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8Tn5b9a7Ik |
|---|---|
| Name | citral, 1MEOX |
| Comments | Derivatization type: 1 MEOX (mass: 181.147); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000121; Note: The molecular formula of the structure shown is C10H16O - which differs from the formula reported for the mass spectrum (C11H19NO) |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H19NO |
| InChI | InChI=1S/C11H19NO/c1-10(2)6-5-7-11(3)8-9-12-13-4/h6,8-9H,5,7H2,1-4H3/b11-8+,12-9- |
| InChIKey | SKTBLMLVYQJMNW-OJOCYUAFSA-N |
| Molecular Weight | 181.279 g/mol |
| SMILES | CC(C)=CCC\C(=C\C=N/OC)C |
| SPLASH | splash10-03dl-4900000000-47e4a139e30a9a39fbea |
| Source of Spectrum | FM-2019-121-0 |
| Synonyms | Citral, 1MEOX 3,7-Dimethyl-2,6-octadienal, 1MEOX 3,7-Dimethylocta-2,6-dienal, 1MEOX CHEBI:23316, 1MEOX 2,6-Octadienal, 3,7-dimethyl-, 1MEOX ZINC01529208, 1MEOX 3,7-Dimethylocta-2,6-dienal, 1MEOX (1Z,2E)-3,7-dimethylocta-2,6-dienal O-methyl oxime |
| Wiley ID | 1817815 |