| SpectraBase Compound ID | 608kyUWbe1g |
|---|---|
| InChI | InChI=1S/C9H16O3/c1-6-5-11-8(9(2,3)4)12-7(6)10/h6,8H,5H2,1-4H3 |
| InChIKey | IDAKACQLSWKCND-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 | HzjMTAaPlLg |
|---|---|
| Name | 1,3-DIOXAN-4-ONE, 2-(1,1-DIMETHYLETHYL)-5-METHYL-, (2S-cis)- |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C9H16O3 |
| InChI | InChI=1S/C9H16O3/c1-6-5-11-8(9(2,3)4)12-7(6)10/h6,8H,5H2,1-4H3 |
| InChIKey | IDAKACQLSWKCND-UHFFFAOYSA-N |
| Molecular Weight | 172.1095 |
| SMILES | C1OC(OC(C1C)=O)C(C)(C)C |
| SPLASH | splash10-066u-9000000000-c6db0b64d0e7bbdcfbe5 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |