| SpectraBase Compound ID | CNgWcLi02YK |
|---|---|
| InChI | InChI=1S/C6H6O/c1-2-3-4-5-6-7/h4-6H,1H3/b5-4+ |
| InChIKey | NTDJURCPQZXMKS-SNAWJCMRSA-N |
| Mol Weight | 94.11 g/mol |
| Molecular Formula | C6H6O |
| Exact Mass | 94.041865 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ICMWhIoA1Yy |
|---|---|
| Name | 2-Hexen-4-ynal, (E)- |
| CAS Registry Number | 34501-82-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C6H6O |
| InChI | InChI=1S/C6H6O/c1-2-3-4-5-6-7/h4-6H,1H3/b5-4+ |
| InChIKey | NTDJURCPQZXMKS-SNAWJCMRSA-N |
| Molecular Weight | 94.113 g/mol |
| SMILES | C(#CC)\C=C\C=O |
| SPLASH | splash10-02tl-9000000000-747b8bdff9a85497abd6 |
| Source of Spectrum | H-70-1039-5 |
| Synonyms | (2E)-2-hexen-4-ynal (E)-hex-2-en-4-ynal trans-2-hexen-4-ynal |
| Wiley ID | 1117888 |