SpectraBase Compound ID | 4Vv5kjaCLZc |
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InChI | InChI=1S/C11H17NO/c1-9(2)10-5-3-4-6-11(10)13-8-7-12/h3-6,9H,7-8,12H2,1-2H3 |
InChIKey | HGULZMCXEYYSSI-UHFFFAOYSA-N |
Mol Weight | 179.26 g/mol |
Molecular Formula | C11H17NO |
Exact Mass | 179.131014 g/mol |
SpectraBase Spectrum ID | 8kUFINjSEIN |
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Name | 1-(2-Aminoethoxy)-2-isopropylbenzene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 179.131014170 u |
Formula | C11H17NO |
InChI | InChI=1S/C11H17NO/c1-9(2)10-5-3-4-6-11(10)13-8-7-12/h3-6,9H,7-8,12H2,1-2H3 |
InChIKey | HGULZMCXEYYSSI-UHFFFAOYSA-N |
Molecular Weight | 179.263 g/mol |
SMILES | C1=C(C(=CC=C1)OCCN)C(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960975 |