| SpectraBase Compound ID | 4KSfCk2wwcK |
|---|---|
| InChI | InChI=1S/C7H12O2/c1-5(8)7(3,4)6(2)9/h1-4H3 |
| InChIKey | SWGDHTSWHSSMLE-UHFFFAOYSA-N |
| Mol Weight | 128.17 g/mol |
| Molecular Formula | C7H12O2 |
| Exact Mass | 128.08373 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3rDeXOwud34 |
|---|---|
| Name | 2,4-PENTANDIONE, 3,3-DIMETHYL- |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C7H12O2 |
| InChI | InChI=1S/C7H12O2/c1-5(8)7(3,4)6(2)9/h1-4H3 |
| InChIKey | SWGDHTSWHSSMLE-UHFFFAOYSA-N |
| Molecular Weight | 128.0834 |
| SMILES | CC(C(C(C)=O)(C)C)=O |
| SPLASH | splash10-006x-9000000000-874e749c5de32b2501d0 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |