| SpectraBase Compound ID | 6DKCxuqw9f8 |
|---|---|
| InChI | InChI=1S/C13H21NO2/c1-15-12-8-7-11(10-13(12)16-2)6-4-3-5-9-14/h7-8,10H,3-6,9,14H2,1-2H3 |
| InChIKey | LZOXJWVQQPHNDN-UHFFFAOYSA-N |
| Mol Weight | 223.32 g/mol |
| Molecular Formula | C13H21NO2 |
| Exact Mass | 223.157229 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Ez9T0npBXtY |
|---|---|
| Name | (3,4-Dimethoxyphenyl)pentylamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 223.157228918 u |
| Formula | C13H21NO2 |
| InChI | InChI=1S/C13H21NO2/c1-15-12-8-7-11(10-13(12)16-2)6-4-3-5-9-14/h7-8,10H,3-6,9,14H2,1-2H3 |
| InChIKey | LZOXJWVQQPHNDN-UHFFFAOYSA-N |
| Molecular Weight | 223.316 g/mol |
| SMILES | COC1=CC=C(C=C1OC)CCCCCN |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.96702 |