SpectraBase Compound ID | 607mT80ZyZf |
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InChI | InChI=1S/C9H10O3/c1-6-3-7(12-2)4-9(11)8(6)5-10/h3-5,11H,1-2H3 |
InChIKey | UCWVXCBZZYBRAB-UHFFFAOYSA-N |
Mol Weight | 166.18 g/mol |
Molecular Formula | C9H10O3 |
Exact Mass | 166.062994 g/mol |
SpectraBase Spectrum ID | 8tDegoMHEBM |
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Name | Benzaldehyde, 2-hydroxy-4-methoxy-6-methyl- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 166.062994179 u |
Formula | C9H10O3 |
InChI | InChI=1S/C9H10O3/c1-6-3-7(12-2)4-9(11)8(6)5-10/h3-5,11H,1-2H3 |
InChIKey | UCWVXCBZZYBRAB-UHFFFAOYSA-N |
SMILES | C1=C(C(=C(C=C1OC)C)C=O)O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.923251 |