SpectraBase Compound ID | 7Gqgz3OTljn |
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InChI | InChI=1S/C11H16O3/c1-12-8-9-4-6-10(7-5-9)11(13-2)14-3/h4-7,11H,8H2,1-3H3 |
InChIKey | GCGPGMJUNBCZCO-UHFFFAOYSA-N |
Mol Weight | 196.25 g/mol |
Molecular Formula | C11H16O3 |
Exact Mass | 196.109944 g/mol |
SpectraBase Spectrum ID | DaTrrhjbZCp |
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Name | alpha-Methoxy-p-tolualdehyde, dimethyl acetal |
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/c1-12-8-9-4-6-10(7-5-9)11(13-2)14-3/h4-7,11H,8H2,1-3H3 |
InChIKey | GCGPGMJUNBCZCO-UHFFFAOYSA-N |
Molecular Weight | 196.246 g/mol |
SMILES | C(C1=CC=C(C=C1)C(OC)OC)OC |
Spectrum/Structure Validation Score (Raman) | 0.895681 |