| SpectraBase Compound ID | 9Ze4XNzx8Nx |
|---|---|
| InChI | InChI=1S/C8H12/c1-3-5-7-8-6-4-2/h1,5,7H,4,6,8H2,2H3/b7-5+ |
| InChIKey | FCNAWUZWKZOHKE-FNORWQNLSA-N |
| Mol Weight | 108.18 g/mol |
| Molecular Formula | C8H12 |
| Exact Mass | 108.0939 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JUlIw4taO4i |
|---|---|
| Name | (E)-3-Octen-1-yne |
| CAS Registry Number | 42104-42-7 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C8H12 |
| InChI | InChI=1S/C8H12/c1-3-5-7-8-6-4-2/h1,5,7H,4,6,8H2,2H3/b7-5+ |
| InChIKey | FCNAWUZWKZOHKE-FNORWQNLSA-N |
| Instrument Name | Bruker WH-270 |
| Literature Reference | J.K. Stille, J.H. Simpson, J. Am. Chem. Soc. 109, 2138 (1987). |
| NMR Standard | CDCl3 |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |