![Butanal, 3-[(tert-butyloxycarbonyl)amino]-](/api/spectrum/CbgdWmOjABV/structure.png?h=300&w=458 "Butanal, 3-[(tert-butyloxycarbonyl)amino]-")
| SpectraBase Compound ID | 4gJyq9PzOjn |
|---|---|
| InChI | InChI=1S/C9H17NO3/c1-7(5-6-11)10-8(12)13-9(2,3)4/h6-7H,5H2,1-4H3,(H,10,12) |
| InChIKey | GIQHYOAEOMSKKV-UHFFFAOYSA-N |
| Mol Weight | 187.24 g/mol |
| Molecular Formula | C9H17NO3 |
| Exact Mass | 187.120843 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CbgdWmOjABV |
|---|---|
| Name | Butanal, 3-[(tert-butyloxycarbonyl)amino]- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 187.120843408 u |
| Formula | C9H17NO3 |
| InChI | InChI=1S/C9H17NO3/c1-7(5-6-11)10-8(12)13-9(2,3)4/h6-7H,5H2,1-4H3,(H,10,12) |
| InChIKey | GIQHYOAEOMSKKV-UHFFFAOYSA-N |
| Molecular Weight | 187.239 g/mol |
| SMILES | CC(C)(OC(NC(CC=O)C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.920541 |