SpectraBase Compound ID | 5aKifSQKIqR |
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InChI | InChI=1S/C13H12O/c1-2-13(14)12-9-5-7-10-6-3-4-8-11(10)12/h2-9,13-14H,1H2 |
InChIKey | RTPZDQUSWPVXBL-UHFFFAOYSA-N |
Mol Weight | 184.24 g/mol |
Molecular Formula | C13H12O |
Exact Mass | 184.088815 g/mol |
SpectraBase Spectrum ID | H2qRqKQb1hI |
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Name | (S)-(-)-1-(1'-naphthyl)pop-2-en-1-ol |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 184.088815005 u |
Formula | C13H12O |
InChI | InChI=1S/C13H12O/c1-2-13(14)12-9-5-7-10-6-3-4-8-11(10)12/h2-9,13-14H,1H2 |
InChIKey | RTPZDQUSWPVXBL-UHFFFAOYSA-N |
Molecular Weight | 184.238 g/mol |
SMILES | C1(=C2C(C=CC=C2)=CC=C1)C(C=C)O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.889032 |