SpectraBase Compound ID | 7AOjmtyBm3J |
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InChI | InChI=1S/C12H19N/c1-4-13(5-2)10-12-8-6-7-11(3)9-12/h6-9H,4-5,10H2,1-3H3 |
InChIKey | PIRUTBLISOIFHU-UHFFFAOYSA-N |
Mol Weight | 177.29 g/mol |
Molecular Formula | C12H19N |
Exact Mass | 177.15175 g/mol |
SpectraBase Spectrum ID | 7uxcyAz9D1v |
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Name | N-(3-Methylbenzyl)diethylamine |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 177.151749616 u |
Formula | C12H19N |
InChI | InChI=1S/C12H19N/c1-4-13(5-2)10-12-8-6-7-11(3)9-12/h6-9H,4-5,10H2,1-3H3 |
InChIKey | PIRUTBLISOIFHU-UHFFFAOYSA-N |
Molecular Weight | 177.291 g/mol |
SMILES | C1(CN(CC)CC)=CC(=CC=C1)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.95291 |