SpectraBase Compound ID | CCq07YXYlIX |
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InChI | InChI=1S/C15H16O/c1-2-6-13-9-11-15(12-10-13)16-14-7-4-3-5-8-14/h3-5,7-12H,2,6H2,1H3 |
InChIKey | HOYDEQLOFXOKAR-UHFFFAOYSA-N |
Mol Weight | 212.29 g/mol |
Molecular Formula | C15H16O |
Exact Mass | 212.120115 g/mol |
SpectraBase Spectrum ID | L7EclX2bBUU |
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Name | 1-Phenoxy-4-propyl-benzene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 212.120115134 u |
Formula | C15H16O |
InChI | InChI=1S/C15H16O/c1-2-6-13-9-11-15(12-10-13)16-14-7-4-3-5-8-14/h3-5,7-12H,2,6H2,1H3 |
InChIKey | HOYDEQLOFXOKAR-UHFFFAOYSA-N |
Molecular Weight | 212.292 g/mol |
SMILES | C1(OC2=CC=CC=C2)=CC=C(C=C1)CCC |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.887138 |