| SpectraBase Compound ID | 6IeMIgDS6A1 |
|---|---|
| InChI | InChI=1S/C10H16O3/c1-8(11)5-6-10(2,3)7-9(12)13-4/h5-6H,7H2,1-4H3/b6-5+ |
| InChIKey | DSMOCXGKAYMOCG-AATRIKPKSA-N |
| Mol Weight | 184.23 g/mol |
| Molecular Formula | C10H16O3 |
| Exact Mass | 184.109944 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DcfoGH1WjO7 |
|---|---|
| Name | 4-HEPTENOIC ACID, 3,3-DIMETHYL-6-OXO-, METHYL ESTER |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C10H16O3 |
| InChI | InChI=1S/C10H16O3/c1-8(11)5-6-10(2,3)7-9(12)13-4/h5-6H,7H2,1-4H3/b6-5+ |
| InChIKey | DSMOCXGKAYMOCG-AATRIKPKSA-N |
| Molecular Weight | 184.1095 |
| SMILES | CC(\C=C\C(CC(OC)=O)(C)C)=O |
| SPLASH | splash10-08fu-9600000000-a75d9cc07d136eacfbd7 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |