SpectraBase Compound ID | D32OP7tvIjh |
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InChI | InChI=1S/C9H13NO2.ClH/c1-11-8-4-3-7(6-10)9(5-8)12-2;/h3-5H,6,10H2,1-2H3;1H |
InChIKey | KJOWSAVFSCSBMZ-UHFFFAOYSA-N |
Mol Weight | 202.66 g/mol |
Molecular Formula | C9H13ClNO2 |
Exact Mass | 202.063481 g/mol |
SpectraBase Spectrum ID | 88IziKSBnZW |
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Name | 2,4-Dimethoxybenzylamine, hydrochloride |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 203.071306393 u |
Formula | C9H14ClNO2 |
InChI | InChI=1S/C9H13NO2.ClH/c1-11-8-4-3-7(6-10)9(5-8)12-2;/h3-5H,6,10H2,1-2H3;1H |
InChIKey | KJOWSAVFSCSBMZ-UHFFFAOYSA-N |
SMILES | Cl.NCC1=C(C=C(C=C1)OC)OC |
Spectrum/Structure Validation Score (Raman) | 0.883883 |