SpectraBase Compound ID | 4eCo0lLN6XL |
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InChI | InChI=1S/C11H15NO/c1-3-9-5-7-10(8-6-9)11(13)12-4-2/h5-8H,3-4H2,1-2H3,(H,12,13) |
InChIKey | NXCCFUKHWJXMOK-UHFFFAOYSA-N |
Mol Weight | 177.25 g/mol |
Molecular Formula | C11H15NO |
Exact Mass | 177.115364 g/mol |
SpectraBase Spectrum ID | BNsdvGdMslR |
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Name | Benzamide, 4-ethyl-N-ethyl- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 177.115364106 u |
Formula | C11H15NO |
InChI | InChI=1S/C11H15NO/c1-3-9-5-7-10(8-6-9)11(13)12-4-2/h5-8H,3-4H2,1-2H3,(H,12,13) |
InChIKey | NXCCFUKHWJXMOK-UHFFFAOYSA-N |
Molecular Weight | 177.247 g/mol |
SMILES | C1=C(C=CC(=C1)CC)C(NCC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.928167 |