| SpectraBase Compound ID | FsR6VoVfFkB |
|---|---|
| InChI | InChI=1S/C5H9NO/c1-4(3-6)5(2)7/h3H,6H2,1-2H3/b4-3+ |
| InChIKey | ZFZLYDFIEGUSMZ-ONEGZZNKSA-N |
| Mol Weight | 99.13 g/mol |
| Molecular Formula | C5H9NO |
| Exact Mass | 99.068414 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 58IVqgE5vDt |
|---|---|
| Name | (E)-Isomer |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 99.068413913 u |
| Formula | C5H9NO |
| InChI | InChI=1S/C5H9NO/c1-4(3-6)5(2)7/h3H,6H2,1-2H3/b4-3+ |
| InChIKey | ZFZLYDFIEGUSMZ-ONEGZZNKSA-N |
| Molecular Weight | 99.133 g/mol |
| SMILES | C(=O)(C)\C(C)=C\N |
| Spectrum/Structure Validation Score (Raman) | 0.968497 |