SpectraBase Compound ID | 8uiqdoBJ5cq |
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InChI | InChI=1S/C10H15NO2/c1-12-9-5-8(3-4-11)6-10(7-9)13-2/h5-7H,3-4,11H2,1-2H3 |
InChIKey | ZHSFEDDRTVLPHH-UHFFFAOYSA-N |
Mol Weight | 181.23 g/mol |
Molecular Formula | C10H15NO2 |
Exact Mass | 181.110279 g/mol |
SpectraBase Spectrum ID | 2iujWOuN1kS |
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Name | 3,5-Dimethoxyphenethylamin |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 181.110278725 u |
Formula | C10H15NO2 |
InChI | InChI=1S/C10H15NO2/c1-12-9-5-8(3-4-11)6-10(7-9)13-2/h5-7H,3-4,11H2,1-2H3 |
InChIKey | ZHSFEDDRTVLPHH-UHFFFAOYSA-N |
Molecular Weight | 181.235 g/mol |
SMILES | C1(OC)=CC(=CC(=C1)OC)CCN |
Spectrum/Structure Validation Score (Raman) | 0.977654 |