SpectraBase Compound ID | 5E1aFlMLRdh |
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InChI | InChI=1S/C11H16N2/c1-2-3-6-9-13-11-8-5-4-7-10(11)12/h2,4-5,7-8,13H,1,3,6,9,12H2 |
InChIKey | SCAXEQNPZPWLSZ-UHFFFAOYSA-N |
Mol Weight | 176.26 g/mol |
Molecular Formula | C11H16N2 |
Exact Mass | 176.131349 g/mol |
SpectraBase Spectrum ID | 3sI1D62kM7q |
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Name | (2-Aminophenyl)-pent-4-enyl-amine |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 176.131348523 u |
Formula | C11H16N2 |
InChI | InChI=1S/C11H16N2/c1-2-3-6-9-13-11-8-5-4-7-10(11)12/h2,4-5,7-8,13H,1,3,6,9,12H2 |
InChIKey | SCAXEQNPZPWLSZ-UHFFFAOYSA-N |
Molecular Weight | 176.263 g/mol |
SMILES | C=1(C(N)=CC=CC1)NCCCC=C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.8781 |