SpectraBase Compound ID | 67CLYKJQ8GO |
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InChI | InChI=1S/C11H14O/c1-12-11(8-5-9-11)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3 |
InChIKey | JMQDLZXLADGSHU-UHFFFAOYSA-N |
Mol Weight | 162.23 g/mol |
Molecular Formula | C11H14O |
Exact Mass | 162.104465 g/mol |
SpectraBase Spectrum ID | KXbUVGhyzNC |
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Name | 1-Methoxy-1-phenylcyclobutane |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 162.104465070 u |
Formula | C11H14O |
InChI | InChI=1S/C11H14O/c1-12-11(8-5-9-11)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3 |
InChIKey | JMQDLZXLADGSHU-UHFFFAOYSA-N |
Molecular Weight | 162.232 g/mol |
SMILES | C1(OC)(C=2C=CC=CC2)CCC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.824587 |