| SpectraBase Compound ID | JhlaCEFG7nr |
|---|---|
| InChI | InChI=1S/C9H20O2/c1-3-5-6-8(4-2)9(11)7-10/h8-11H,3-7H2,1-2H3 |
| InChIKey | IOGGKEHFIKSSGB-UHFFFAOYSA-N |
| Mol Weight | 160.26 g/mol |
| Molecular Formula | C9H20O2 |
| Exact Mass | 160.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1LRszQ5ojSZ |
|---|---|
| Name | 3-Ethyl-1,2-heptanediol |
| CAS Registry Number | 94616-96-3 |
| Comments | WHE-7567-02 MAJOR DIASTEREOMER (53 %) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C9H20O2 |
| InChI | InChI=1S/C9H20O2/c1-3-5-6-8(4-2)9(11)7-10/h8-11H,3-7H2,1-2H3 |
| InChIKey | IOGGKEHFIKSSGB-UHFFFAOYSA-N |
| Instrument Name | Bruker WM-360 |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |