| SpectraBase Compound ID | G1Tomg1JfkD |
|---|---|
| InChI | InChI=1S/C10H18O3/c1-8(11)6-5-7-10(2,3)9(12)13-4/h5-7H2,1-4H3 |
| InChIKey | WMAHWHYQGFDCIQ-UHFFFAOYSA-N |
| Mol Weight | 186.25 g/mol |
| Molecular Formula | C10H18O3 |
| Exact Mass | 186.125594 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Ck0UDb3djl1 |
|---|---|
| Name | HEPTANOIC ACID, 2,2-DIMETHYL-6-OXO-, METHYL ESTER |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C10H18O3 |
| InChI | InChI=1S/C10H18O3/c1-8(11)6-5-7-10(2,3)9(12)13-4/h5-7H2,1-4H3 |
| InChIKey | WMAHWHYQGFDCIQ-UHFFFAOYSA-N |
| Molecular Weight | 186.1251 |
| SMILES | COC(C(CCCC(C)=O)(C)C)=O |
| SPLASH | splash10-0fr6-9400000000-fe87850e10b847f6ee0a |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |