| SpectraBase Compound ID | ADPgrfUZXd9 |
|---|---|
| InChI | InChI=1S/C21H29NO/c1-6-7-10-13-22-15-18(17-11-8-9-12-19(17)22)20(23)14-21(4,5)16(2)3/h8-9,11-12,15H,2,6-7,10,13-14H2,1,3-5H3 |
| InChIKey | NBJHWTCAQOYUND-UHFFFAOYSA-N |
| Mol Weight | 311.47 g/mol |
| Molecular Formula | C21H29NO |
| Exact Mass | 311.224915 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | C2Dp3y3TmX6 |
|---|---|
| Name | ur-144 Degradant |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.224914557 u |
| Formula | C21H29NO |
| InChI | InChI=1S/C21H29NO/c1-6-7-10-13-22-15-18(17-11-8-9-12-19(17)22)20(23)14-21(4,5)16(2)3/h8-9,11-12,15H,2,6-7,10,13-14H2,1,3-5H3 |
| InChIKey | NBJHWTCAQOYUND-UHFFFAOYSA-N |
| Molecular Weight | 311.469 g/mol |
| SMILES | C1=CC=C2N(C=C(C2=C1)C(CC(C(=C)C)(C)C)=O)CCCCC |
| Spectrum/Structure Validation Score (Raman) | 0.998472 |