| SpectraBase Compound ID | LpnXK4RjgHN |
|---|---|
| InChI | InChI=1S/C7H8/c1-2-4-6-7-5-3-1/h1-6H,7H2 |
| InChIKey | CHVJITGCYZJHLR-UHFFFAOYSA-N |
| Mol Weight | 92.14 g/mol |
| Molecular Formula | C7H8 |
| Exact Mass | 92.0626 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9IgugSvjoFK |
|---|---|
| Name | 1,3,5-Cycloheptatriene |
| CAS Registry Number | 544-25-2 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C7H8 |
| InChI | InChI=1S/C7H8/c1-2-4-6-7-5-3-1/h1-6H,7H2 |
| InChIKey | CHVJITGCYZJHLR-UHFFFAOYSA-N |
| Instrument Name | Varian SC-300 |
| Literature Reference | Z.W. Qiu, D.M. Grant, R.J. Pugmuire, J. Am. Chem. Soc. 104, 2747 (1982). |
| NMR Standard | Cyclohexane |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |