| SpectraBase Compound ID | AiqfaSsutCU |
|---|---|
| InChI | InChI=1S/C9H16INS/c1-3-5-8(10)9(6-4-2)12-7-11/h8-9H,3-6H2,1-2H3 |
| InChIKey | WERNREVUUMZUPJ-UHFFFAOYSA-N |
| Mol Weight | 297.2 g/mol |
| Molecular Formula | C9H16INS |
| Exact Mass | 297.004816 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 77bmQHVqsAz |
|---|---|
| Name | erythro-4-Iodo-5-thiocyanato-octane |
| CAS Registry Number | 77425-30-0 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C9H16INS |
| InChI | InChI=1S/C9H16INS/c1-3-5-8(10)9(6-4-2)12-7-11/h8-9H,3-6H2,1-2H3 |
| InChIKey | WERNREVUUMZUPJ-UHFFFAOYSA-N |
| Literature Reference | R.C. Cambie, G.D. Mayer, P.S. Rutledge, J. Chem. Soc. Perkin I 52 (1981). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |