SpectraBase Compound ID | 27toZbMES7E |
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InChI | InChI=1S/C14H24/c1-2-4-6-8-10-12-14-13-11-9-7-5-3-1/h1-12H2 |
InChIKey | JGKWLXSZONBRGR-UHFFFAOYSA-N |
Mol Weight | 192.35 g/mol |
Molecular Formula | C14H24 |
Exact Mass | 192.187801 g/mol |
SpectraBase Spectrum ID | AnkGLzAthsq |
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Name | Cyclotetradecyne |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 192.187800773 u |
Formula | C14H24 |
InChI | InChI=1S/C14H24/c1-2-4-6-8-10-12-14-13-11-9-7-5-3-1/h1-12H2 |
InChIKey | JGKWLXSZONBRGR-UHFFFAOYSA-N |
Molecular Weight | 192.346 g/mol |
SMILES | C1#CCCCCCCCCCCCC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.959918 |