SpectraBase Compound ID | Lk7txWVe8mp |
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InChI | InChI=1S/C14H14O/c15-11-14-9-5-4-8-13(14)10-12-6-2-1-3-7-12/h1-9,15H,10-11H2 |
InChIKey | GTKWHQWJTVWORA-UHFFFAOYSA-N |
Mol Weight | 198.26 g/mol |
Molecular Formula | C14H14O |
Exact Mass | 198.104465 g/mol |
SpectraBase Spectrum ID | 1RzYytjqYEA |
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Name | o-Benzylbenzyl alcohol |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 198.104465070 u |
Formula | C14H14O |
InChI | InChI=1S/C14H14O/c15-11-14-9-5-4-8-13(14)10-12-6-2-1-3-7-12/h1-9,15H,10-11H2 |
InChIKey | GTKWHQWJTVWORA-UHFFFAOYSA-N |
Molecular Weight | 198.265 g/mol |
SMILES | OCC1=C(C=CC=C1)CC=1C=CC=CC1 |
Spectrum/Structure Validation Score (Raman) | 0.99168 |