| SpectraBase Compound ID | BZQJ2ztlwyz |
|---|---|
| InChI | InChI=1S/C13H18/c1-2-4-6-8-10-12-13-11-9-7-5-3-1/h1-2,7,9H,3-6,8,11,13H2/b2-1+,9-7+ |
| InChIKey | IIFKDASAVNQLSJ-ATTBXNPTSA-N |
| Mol Weight | 174.29 g/mol |
| Molecular Formula | C13H18 |
| Exact Mass | 174.140851 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5mLVp4JvBgw |
|---|---|
| Name | Trans,trans-cyclotrideca-1,5-dien-9-yne |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.140850580 u |
| Formula | C13H18 |
| InChI | InChI=1S/C13H18/c1-2-4-6-8-10-12-13-11-9-7-5-3-1/h1-2,7,9H,3-6,8,11,13H2/b2-1+,9-7+ |
| InChIKey | IIFKDASAVNQLSJ-ATTBXNPTSA-N |
| Molecular Weight | 174.287 g/mol |
| SMILES | C1#CCCC\C=C\CC\C=C\CC1 |