SpectraBase Compound ID | DZ30bSHwWv5 |
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InChI | InChI=1S/C11H14N2O/c1-2-4-11(5-3-1)14-9-8-13-7-6-12-10-13/h1-5,10H,6-9H2 |
InChIKey | KAPLUYRPYJNLNX-UHFFFAOYSA-N |
Mol Weight | 190.25 g/mol |
Molecular Formula | C11H14N2O |
Exact Mass | 190.110613 g/mol |
SpectraBase Spectrum ID | LOqtJC1JRQB |
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Name | N-(2-Phenoxyethyl)-1,2-diaminoethane |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 190.110613078 u |
Formula | C11H14N2O |
InChI | InChI=1S/C11H14N2O/c1-2-4-11(5-3-1)14-9-8-13-7-6-12-10-13/h1-5,10H,6-9H2 |
InChIKey | KAPLUYRPYJNLNX-UHFFFAOYSA-N |
Molecular Weight | 190.246 g/mol |
SMILES | C1=NCCN1CCOC1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.956789 |