| SpectraBase Compound ID | JluSIFFbxuy |
|---|---|
| InChI | InChI=1S/C9H16O3/c1-7(2)9-11-4-3-8(5-10)6-12-9/h5,7-9H,3-4,6H2,1-2H3 |
| InChIKey | QLCSCWQWEDTIQK-UHFFFAOYSA-N |
| Mol Weight | 172.22 g/mol |
| Molecular Formula | C9H16O3 |
| Exact Mass | 172.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 96amznSTAPE |
|---|---|
| Name | 1,3-Dioxepane-5-carboxaldehyde, 2-(1-methylethyl)- |
| CAS Registry Number | 109991-74-4 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C9H16O3 |
| InChI | InChI=1S/C9H16O3/c1-7(2)9-11-4-3-8(5-10)6-12-9/h5,7-9H,3-4,6H2,1-2H3 |
| InChIKey | QLCSCWQWEDTIQK-UHFFFAOYSA-N |
| Instrument Name | Bruker AM-270 |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |