| SpectraBase Compound ID | F3AwbcRe1sV |
|---|---|
| InChI | InChI=1S/C9H12O3/c1-12-9-3-2-7(5-10)8(4-9)6-11/h2-4,10-11H,5-6H2,1H3 |
| InChIKey | MGCMGVSCUAVGLK-UHFFFAOYSA-N |
| Mol Weight | 168.19 g/mol |
| Molecular Formula | C9H12O3 |
| Exact Mass | 168.078644 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1pQubHwLsnz |
|---|---|
| Name | 1,2-Benzenedimethanol, 4-methoxy- |
| 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/c1-12-9-3-2-7(5-10)8(4-9)6-11/h2-4,10-11H,5-6H2,1H3 |
| InChIKey | MGCMGVSCUAVGLK-UHFFFAOYSA-N |
| Molecular Weight | 168.192 g/mol |
| SMILES | COC1=CC=C(C(=C1)CO)CO |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.943559 |