SpectraBase Compound ID | 9Fib7O2CvUE |
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InChI | InChI=1S/C11H17NO/c1-3-4-9-12-10-5-7-11(13-2)8-6-10/h5-8,12H,3-4,9H2,1-2H3 |
InChIKey | OYKKYEHDNXYDHS-UHFFFAOYSA-N |
Mol Weight | 179.26 g/mol |
Molecular Formula | C11H17NO |
Exact Mass | 179.131014 g/mol |
SpectraBase Spectrum ID | 38z8ZXzyivS |
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Name | N-Butyl-4-methoxyaniline |
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/c1-3-4-9-12-10-5-7-11(13-2)8-6-10/h5-8,12H,3-4,9H2,1-2H3 |
InChIKey | OYKKYEHDNXYDHS-UHFFFAOYSA-N |
Molecular Weight | 179.263 g/mol |
SMILES | C=1(NCCCC)C=CC(=CC1)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.934792 |