| SpectraBase Compound ID | CNq1clknOeK |
|---|---|
| InChI | InChI=1S/C7H12O3/c1-6(5-8)3-4-10-7(2)9/h3,8H,4-5H2,1-2H3/b6-3+ |
| InChIKey | WSBIBTVBOUYRGA-ZZXKWVIFSA-N |
| Mol Weight | 144.17 g/mol |
| Molecular Formula | C7H12O3 |
| Exact Mass | 144.078644 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 60oLPZaqzBD |
|---|---|
| Name | |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C7H12O3 |
| InChI | InChI=1S/C7H12O3/c1-6(5-8)3-4-10-7(2)9/h3,8H,4-5H2,1-2H3/b6-3+ |
| InChIKey | WSBIBTVBOUYRGA-ZZXKWVIFSA-N |
| Molecular Weight | 144.0783 |
| SMILES | OC\C(=C\COC(C)=O)C |
| SPLASH | splash10-000x-9000000000-531e7b27d540e5144109 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |