| SpectraBase Compound ID | 2vQZhmVkJqv |
|---|---|
| InChI | InChI=1S/C13H18O3/c1-9(14)16-10-6-7-12(15-5)11(8-10)13(2,3)4/h6-8H,1-5H3 |
| InChIKey | GMSYMSGYDWUOGM-UHFFFAOYSA-N |
| Mol Weight | 222.28 g/mol |
| Molecular Formula | C13H18O3 |
| Exact Mass | 222.125594 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IYgkUXrYbD0 |
|---|---|
| Name | |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C13H16O3D2 |
| InChI | InChI=1S/C13H18O3/c1-9(14)16-10-6-7-12(15-5)11(8-10)13(2,3)4/h6-8H,1-5H3 |
| InChIKey | GMSYMSGYDWUOGM-UHFFFAOYSA-N |
| Molecular Weight | 222.1251 |
| SMILES | c1c(OC)c(C(C)(C)C)cc(OC(C)=O)c1 |
| SPLASH | splash10-0159-1900000000-908b71bae0ccd68ccd18 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |