SpectraBase Compound ID | DuBxJZ38BMu |
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InChI | InChI=1S/C11H17N/c1-3-12-9-10(2)11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3 |
InChIKey | YRJYTEMOKSUBHJ-UHFFFAOYSA-N |
Mol Weight | 163.26 g/mol |
Molecular Formula | C11H17N |
Exact Mass | 163.1361 g/mol |
SpectraBase Spectrum ID | CpSA4LrgWHZ |
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Name | N-Ethyl-beta-methylphenethylamine |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 163.136099551 u |
Formula | C11H17N |
InChI | InChI=1S/C11H17N/c1-3-12-9-10(2)11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3 |
InChIKey | YRJYTEMOKSUBHJ-UHFFFAOYSA-N |
Molecular Weight | 163.264 g/mol |
SMILES | C1(C(CNCC)C)=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.934536 |