| SpectraBase Compound ID | 6dbyP4ZvlVQ |
|---|---|
| InChI | InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3 |
| InChIKey | YRKCREAYFQTBPV-UHFFFAOYSA-N |
| Mol Weight | 100.12 g/mol |
| Molecular Formula | C5H8O2 |
| Exact Mass | 100.052429 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AsK6RfjvNnS |
|---|---|
| Name | 2,4-Pentanedione |
| CAS Registry Number | 123-54-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C5H8O2 |
| InChI | InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3 |
| InChIKey | YRKCREAYFQTBPV-UHFFFAOYSA-N |
| Molecular Weight | 100.117 g/mol |
| SMILES | CC(CC(C)=O)=O |
| SPLASH | splash10-0006-9000000000-3cec2378b1db9461f62d |
| Source of Spectrum | AD-0-4697-0 |
| Synonyms | 2,4-Dioxopentane 2,4-Pentadione 2-Propanone, acetyl- ACAC Acetoacetone Acetone, acetyl- Acetyl 2-propanone Acetyl acetone CH3COCH2COCH3 Diacetylmethane Pentan-2,4-dione Pentanedione Pentanedione-2,4 Pentane-2,4-dione AI3-02266 BRN 0741937 CCRIS 3466 EINECS 204-634-0 HSDB 2064 NSC 5575 UN2310 |
| Wiley ID | 1681 |