SpectraBase Compound ID | 5dsGt63gZ4P |
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InChI | InChI=1S/C11H16O3/c1-8-10(13-3)5-9(7-12-2)6-11(8)14-4/h5-6H,7H2,1-4H3 |
InChIKey | QFHGQWBMTYCVFW-UHFFFAOYSA-N |
Mol Weight | 196.25 g/mol |
Molecular Formula | C11H16O3 |
Exact Mass | 196.109944 g/mol |
SpectraBase Spectrum ID | mEdoAdPEvM |
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Name | 1,3-Dimethoxy-5-(methoxymethyl)-2-methylbenzene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 196.109944372 u |
Formula | C11H16O3 |
InChI | InChI=1S/C11H16O3/c1-8-10(13-3)5-9(7-12-2)6-11(8)14-4/h5-6H,7H2,1-4H3 |
InChIKey | QFHGQWBMTYCVFW-UHFFFAOYSA-N |
Molecular Weight | 196.246 g/mol |
SMILES | C=1(C(=CC(=CC1OC)COC)OC)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.941521 |