| SpectraBase Compound ID | 5uq0ORPH5Bk |
|---|---|
| InChI | InChI=1S/C6H8O2/c1-3-6(8)4-5(2)7/h3H,1,4H2,2H3 |
| InChIKey | MSLCOWHBLCTBOW-UHFFFAOYSA-N |
| Mol Weight | 112.13 g/mol |
| Molecular Formula | C6H8O2 |
| Exact Mass | 112.052429 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Fw4Kt3iPM17 |
|---|---|
| Name | 1-Hexene-3,5-dione |
| Alternate Name(s) | 5-Hexene-2,4-dione Hex-5-ene-2,4-dione |
| CAS Registry Number | 52204-69-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C6H8O2 |
| InChI | InChI=1S/C6H8O2/c1-3-6(8)4-5(2)7/h3H,1,4H2,2H3 |
| InChIKey | MSLCOWHBLCTBOW-UHFFFAOYSA-N |
| Molecular Weight | 112.128 g/mol |
| SMILES | CC(CC(C=C)=O)=O |
| SPLASH | splash10-06r6-9100000000-cdcbbcb626a020f418e8 |
| Source of Spectrum | EK-1999-204-0 |
| Wiley ID | 1123180 |