SpectraBase Compound ID | G2e37SLQUif |
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InChI | InChI=1S/C9H12O3/c1-2-5-12-7-3-4-8(10)9(11)6-7/h3-4,6,10-11H,2,5H2,1H3 |
InChIKey | UDBPMICWELGVIE-UHFFFAOYSA-N |
Mol Weight | 168.19 g/mol |
Molecular Formula | C9H12O3 |
Exact Mass | 168.078644 g/mol |
SpectraBase Spectrum ID | IAFyPc21gRz |
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Name | 4-Propoxybenzene-1,2-diol |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 168.078644243 u |
Formula | C9H12O3 |
InChI | InChI=1S/C9H12O3/c1-2-5-12-7-3-4-8(10)9(11)6-7/h3-4,6,10-11H,2,5H2,1H3 |
InChIKey | UDBPMICWELGVIE-UHFFFAOYSA-N |
Molecular Weight | 168.192 g/mol |
SMILES | C1(=CC(OCCC)=CC=C1O)O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.874771 |