| SpectraBase Compound ID | JNqmsWbCAHu |
|---|---|
| InChI | InChI=1S/C9H19NO2/c1-4-5-6-10-9(11)12-7-8(2)3/h8H,4-7H2,1-3H3,(H,10,11) |
| InChIKey | LNQSASGEEAOEOM-UHFFFAOYSA-N |
| Mol Weight | 173.26 g/mol |
| Molecular Formula | C9H19NO2 |
| Exact Mass | 173.141579 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LONtKIJPYUY |
|---|---|
| Name | Carbonic acid, monoamide, N-butyl-, isobutyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 173.141578854 u |
| Formula | C9H19NO2 |
| InChI | InChI=1S/C9H19NO2/c1-4-5-6-10-9(11)12-7-8(2)3/h8H,4-7H2,1-3H3,(H,10,11) |
| InChIKey | LNQSASGEEAOEOM-UHFFFAOYSA-N |
| Molecular Weight | 173.256 g/mol |
| SMILES | C(CCNC(OCC(C)C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960645 |