| SpectraBase Compound ID | KFSORqurg7d |
|---|---|
| InChI | InChI=1S/C9H19NO/c1-5-6-7(2)8(3)10-9(4)11/h7-8H,5-6H2,1-4H3,(H,10,11) |
| InChIKey | AHEQDFWQRIZDLO-UHFFFAOYSA-N |
| Mol Weight | 157.26 g/mol |
| Molecular Formula | C9H19NO |
| Exact Mass | 157.146664 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GmU5vdblyZS |
|---|---|
| Name | 3-Methylhexan-2-amine, N-acetyl-, (isomer 1) |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 157.146664235 u |
| Formula | C9H19NO |
| InChI | InChI=1S/C9H19NO/c1-5-6-7(2)8(3)10-9(4)11/h7-8H,5-6H2,1-4H3,(H,10,11) |
| InChIKey | AHEQDFWQRIZDLO-UHFFFAOYSA-N |
| Molecular Weight | 157.257 g/mol |
| SMILES | C(NC(C)=O)(C(CCC)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.911632 |