SpectraBase Compound ID | LVsyl0emhgA |
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InChI | InChI=1S/C12H19NO/c1-12(2,3)10-4-6-11(7-5-10)14-9-8-13/h4-7H,8-9,13H2,1-3H3 |
InChIKey | PMADTOCMHRNTRG-UHFFFAOYSA-N |
Mol Weight | 193.29 g/mol |
Molecular Formula | C12H19NO |
Exact Mass | 193.146664 g/mol |
SpectraBase Spectrum ID | Sgrrbxv0nv |
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Name | 2-(4-Tert-butylphenoxy)ethanamine |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 193.146664235 u |
Formula | C12H19NO |
InChI | InChI=1S/C12H19NO/c1-12(2,3)10-4-6-11(7-5-10)14-9-8-13/h4-7H,8-9,13H2,1-3H3 |
InChIKey | PMADTOCMHRNTRG-UHFFFAOYSA-N |
Molecular Weight | 193.290 g/mol |
SMILES | C(N)COC1=CC=C(C=C1)C(C)(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.965261 |