| SpectraBase Compound ID | AY4zS3a4wVF |
|---|---|
| InChI | InChI=1S/C9H16O3/c1-12-9(11)7-5-3-2-4-6-8-10/h8H,2-7H2,1H3 |
| InChIKey | HVAXGLYKECRETN-UHFFFAOYSA-N |
| Mol Weight | 172.22 g/mol |
| Molecular Formula | C9H16O3 |
| Exact Mass | 172.109944 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IrFcnw643M6 |
|---|---|
| Name | OCTANOIC ACID, 8-OXO-, METHYL ESTER |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C9H16O3 |
| InChI | InChI=1S/C9H16O3/c1-12-9(11)7-5-3-2-4-6-8-10/h8H,2-7H2,1H3 |
| InChIKey | HVAXGLYKECRETN-UHFFFAOYSA-N |
| Molecular Weight | 172.1095 |
| SMILES | C(CCCCCCC(OC)=O)=O |
| SPLASH | splash10-059f-9100000000-5201272600a6bf66edbf |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |