| SpectraBase Compound ID | AbcGXTO0wpg |
|---|---|
| InChI | InChI=1S/C12H22O2/c1-10(2)7-6-8-12(3,4)9-11(13)14-5/h7H,6,8-9H2,1-5H3 |
| InChIKey | BGDWHSJGBDXCKB-UHFFFAOYSA-N |
| Mol Weight | 198.31 g/mol |
| Molecular Formula | C12H22O2 |
| Exact Mass | 198.16198 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1j83U01YB6A |
|---|---|
| Name | 3,3,7-TRIMETHYL-OCT-6-ENOIC ACID, METHYL ESTER |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C12H22O2 |
| InChI | InChI=1S/C12H22O2/c1-10(2)7-6-8-12(3,4)9-11(13)14-5/h7H,6,8-9H2,1-5H3 |
| InChIKey | BGDWHSJGBDXCKB-UHFFFAOYSA-N |
| Molecular Weight | 198.1614 |
| SMILES | CC(=CCCC(CC(OC)=O)(C)C)C |
| SPLASH | splash10-06di-9500000000-9f284dfe6ab30b438b91 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |