| SpectraBase Compound ID | 14shjmI9KoQ |
|---|---|
| InChI | InChI=1S/C12H13ClO3/c1-16-10-7-5-9(6-8-10)11(14)3-2-4-12(13)15/h5-8H,2-4H2,1H3 |
| InChIKey | RRKZQGMYNZJNBM-UHFFFAOYSA-N |
| Mol Weight | 240.69 g/mol |
| Molecular Formula | C12H13ClO3 |
| Exact Mass | 240.055322 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BbJJl5xopLN |
|---|---|
| Name | |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C12H13ClO3 |
| InChI | InChI=1S/C12H13ClO3/c1-16-10-7-5-9(6-8-10)11(14)3-2-4-12(13)15/h5-8H,2-4H2,1H3 |
| InChIKey | RRKZQGMYNZJNBM-UHFFFAOYSA-N |
| Molecular Weight | 240.0550 |
| SMILES | COc1ccc(C(CCCC(Cl)=O)=O)cc1 |
| SPLASH | splash10-000i-4910000000-b9083a0fd78d393a3380 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |