SpectraBase Compound ID | IbGWzM69iAp |
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InChI | InChI=1S/C13H18O/c1-2-14-13-11-7-4-3-5-8-12(13)10-6-9-11/h6,9-10H,2-5,7-8H2,1H3 |
InChIKey | DFGIWMOXNZSUAU-UHFFFAOYSA-N |
Mol Weight | 190.29 g/mol |
Molecular Formula | C13H18O |
Exact Mass | 190.135765 g/mol |
SpectraBase Spectrum ID | EZjIky3DoZd |
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Name | 11-Ethoxy-[5]-metacyclophane |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 190.135765199 u |
Formula | C13H18O |
InChI | InChI=1S/C13H18O/c1-2-14-13-11-7-4-3-5-8-12(13)10-6-9-11/h6,9-10H,2-5,7-8H2,1H3 |
InChIKey | DFGIWMOXNZSUAU-UHFFFAOYSA-N |
Molecular Weight | 190.286 g/mol |
SMILES | C=1(OCC)C=2CCCCCC1C=CC2 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.893987 |