SpectraBase Compound ID | FMkeN24DZxL |
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InChI | InChI=1S/C11H21NO/c1-9(2)11(13)12-10-7-5-3-4-6-8-10/h9-10H,3-8H2,1-2H3,(H,12,13) |
InChIKey | JVFNTMSHUJHGHX-UHFFFAOYSA-N |
Mol Weight | 183.29 g/mol |
Molecular Formula | C11H21NO |
Exact Mass | 183.162314 g/mol |
SpectraBase Spectrum ID | LdGnbsMCfT1 |
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Name | Cycloheptylamine, N-(2-methylpropionyl)- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 183.162314299 u |
Formula | C11H21NO |
InChI | InChI=1S/C11H21NO/c1-9(2)11(13)12-10-7-5-3-4-6-8-10/h9-10H,3-8H2,1-2H3,(H,12,13) |
InChIKey | JVFNTMSHUJHGHX-UHFFFAOYSA-N |
Molecular Weight | 183.295 g/mol |
SMILES | C1(CCCCCC1)NC(C(C)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.95341 |