SpectraBase Compound ID | 8aQuk2RAyvv |
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InChI | InChI=1S/C15H22O/c1-2-3-5-8-14-11-12-15(14,16)13-9-6-4-7-10-13/h4,6-7,9-10,14,16H,2-3,5,8,11-12H2,1H3 |
InChIKey | GJNPBGOUUJEMPZ-UHFFFAOYSA-N |
Mol Weight | 218.34 g/mol |
Molecular Formula | C15H22O |
Exact Mass | 218.167065 g/mol |
SpectraBase Spectrum ID | 73gCfyI67Po |
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Name | 1-Phenyl-2-pentylcyclobutanol |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 218.167065327 u |
Formula | C15H22O |
InChI | InChI=1S/C15H22O/c1-2-3-5-8-14-11-12-15(14,16)13-9-6-4-7-10-13/h4,6-7,9-10,14,16H,2-3,5,8,11-12H2,1H3 |
InChIKey | GJNPBGOUUJEMPZ-UHFFFAOYSA-N |
Molecular Weight | 218.340 g/mol |
SMILES | C1(CCC1CCCCC)(C=1C=CC=CC1)O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.867217 |