| SpectraBase Compound ID | AQAINEPHcAS |
|---|---|
| InChI | InChI=1S/C11H18O3/c1-14-11(13)7-3-5-9-4-2-6-10(12)8-9/h9H,2-8H2,1H3 |
| InChIKey | DFDHVTJVRXUPRT-UHFFFAOYSA-N |
| Mol Weight | 198.26 g/mol |
| Molecular Formula | C11H18O3 |
| Exact Mass | 198.125594 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LUZcRGkRnhY |
|---|---|
| Name | 4-(3-OXO-CYCLOHEXYL)BUTYRIC ACID, METHYL ESTER |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C11H18O3 |
| InChI | InChI=1S/C11H18O3/c1-14-11(13)7-3-5-9-4-2-6-10(12)8-9/h9H,2-8H2,1H3 |
| InChIKey | DFDHVTJVRXUPRT-UHFFFAOYSA-N |
| Molecular Weight | 198.1251 |
| SMILES | C1(CCCC(OC)=O)CCCC(=O)C1 |
| SPLASH | splash10-0002-9200000000-d98b7baca72c1cab8d0b |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |