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Inherent Properties, Identifiers and References
ChemSpider ID: 341988
Empirical Formula: C22H42O2
Molecular Weight: 338.5677
Nominal Mass: 338 Da
Average Mass: 338.5677 Da
Monoisotopic Mass: 338.318481 Da
Systematic Name: 2-(11-hydroxyundecyl)-2,8,8-trimethylcyclooctanone
SMILES: O=C1C(CCCCCC1(CCCCCCCCCCCO)C)(C)C Copy
InChI: InChI=1/C22H42O2/c1-21(2)16-12-11-14-18-22(3,20(21)24)17-13-9-7-5​-4-6-8-10-15-19-23/h23H,4-19H2,1-3H3 Copy
InChIKey: AVVHASCLAPEHMY-UHFFFAOYAN
Std. InChI: InChI=1S/C22H42O2/c1-21(2)16-12-11-14-18-22(3,20(21)24)17-13-9-7-​5-4-6-8-10-15-19-23/h23H,4-19H2,1-3H3 Copy
Std. InChIKey: AVVHASCLAPEHMY-UHFFFAOYSA-N
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