| SpectraBase Compound ID | 6RKtL0yHmJa |
|---|---|
| InChI | InChI=1S/C9H8/c1-2-9-7-5-3-4-6-8-9/h1,3-7H,8H2 |
| InChIKey | KLZXUTRJLMPGBK-UHFFFAOYSA-N |
| Mol Weight | 116.16 g/mol |
| Molecular Formula | C9H8 |
| Exact Mass | 116.0626 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Bih4At6BdxI |
|---|---|
| Name | 1-ethynylcyclohepta-1,3,5-triene |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H8 |
| InChI | InChI=1S/C9H8/c1-2-9-7-5-3-4-6-8-9/h1,3-7H,8H2 |
| InChIKey | KLZXUTRJLMPGBK-UHFFFAOYSA-N |
| Molecular Weight | 116.163 g/mol |
| SMILES | C(#C)C1=CC=CC=CC1 |
| SPLASH | splash10-004i-9000000000-3b574363721b021773a9 |
| Source of Spectrum | AJ-68-3531-31 |
| Wiley ID | 773511 |