SpectraBase Compound ID | 3UxN5Fj3DvK |
---|---|
InChI | InChI=1S/C11H8O2/c12-7-10-5-8-3-1-2-4-9(8)6-11(10)13/h1-7,13H |
InChIKey | QCUNDLUTTXSPFM-UHFFFAOYSA-N |
Mol Weight | 172.18 g/mol |
Molecular Formula | C11H8O2 |
Exact Mass | 172.052429 g/mol |
SpectraBase Spectrum ID | 6qb4sBz2PYX |
---|---|
Name | 3-Hydroxy-2-naphthaldehyd |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 172.052429496 u |
Formula | C11H8O2 |
InChI | InChI=1S/C11H8O2/c12-7-10-5-8-3-1-2-4-9(8)6-11(10)13/h1-7,13H |
InChIKey | QCUNDLUTTXSPFM-UHFFFAOYSA-N |
Molecular Weight | 172.183 g/mol |
SMILES | C(=O)C1=CC2=C(C=C1O)C=CC=C2 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.922005 |