| SpectraBase Compound ID | HF2AHMUEaHG |
|---|---|
| InChI | InChI=1S/C9H12O3/c1-6-3-4-7(8(10)5-6)9(11)12-2/h5,7H,3-4H2,1-2H3 |
| InChIKey | OMSUXKRODPSBAE-UHFFFAOYSA-N |
| Mol Weight | 168.19 g/mol |
| Molecular Formula | C9H12O3 |
| Exact Mass | 168.078644 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AxkE2sTFTcF |
|---|---|
| Name | 3-CYCLOHEXENE-1-CARBOXYLIC ACID, 4-METHYL-2-OXO-, METHYL ESTER |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C9H12O3 |
| InChI | InChI=1S/C9H12O3/c1-6-3-4-7(8(10)5-6)9(11)12-2/h5,7H,3-4H2,1-2H3 |
| InChIKey | OMSUXKRODPSBAE-UHFFFAOYSA-N |
| Molecular Weight | 168.0783 |
| SMILES | C=1C(=O)C(C(OC)=O)CCC1C |
| SPLASH | splash10-0a59-9600000000-77047355fcc2cc534476 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |