| SpectraBase Compound ID | 7qWofBHWNWj |
|---|---|
| InChI | InChI=1S/C12H18O3/c1-7(13)15-10-5-8-9(14)6-12(10,4)11(8,2)3/h8,10H,5-6H2,1-4H3/t8-,10-,12-/m1/s1 |
| InChIKey | LJJDMLPORNJBCT-HLUHBDAQSA-N |
| Mol Weight | 210.27 g/mol |
| Molecular Formula | C12H18O3 |
| Exact Mass | 210.125594 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AYl0f869I6R |
|---|---|
| Name | |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C12H18O3 |
| InChI | InChI=1S/C12H18O3/c1-7(13)15-10-5-8-9(14)6-12(10,4)11(8,2)3/h8,10H,5-6H2,1-4H3/t8-,10-,12-/m1/s1 |
| InChIKey | LJJDMLPORNJBCT-HLUHBDAQSA-N |
| Molecular Weight | 210.1251 |
| SMILES | C1[C@]2(C(C)(C)[C@](C[C@]2(OC(C)=O)[H])(C1=O)[H])C |
| SPLASH | splash10-052f-9700000000-5c3cb8b5fb949b1be5cb |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |