SpectraBase Compound ID | 9rTcWhHpKLY |
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InChI | InChI=1S/C6H11NO2/c1-5(8)7-6-2-3-9-4-6/h6H,2-4H2,1H3,(H,7,8)/t6-/m0/s1 |
InChIKey | RIZAKOWAFYZHGV-LURJTMIESA-N |
Mol Weight | 129.16 g/mol |
Molecular Formula | C6H11NO2 |
Exact Mass | 129.078979 g/mol |
SpectraBase Spectrum ID | IsoufxJuGv2 |
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Name | (S)-3-Aminotetrahydrofuran, ac derivative |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 129.078978596 u |
Formula | C6H11NO2 |
InChI | InChI=1S/C6H11NO2/c1-5(8)7-6-2-3-9-4-6/h6H,2-4H2,1H3,(H,7,8)/t6-/m0/s1 |
InChIKey | RIZAKOWAFYZHGV-LURJTMIESA-N |
SMILES | [C@@]1(NC(C)=O)(CCOC1)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.990356 |