| SpectraBase Spectrum ID |
3XtTUxzzrH5 |
| Name |
Cytisin, N-formyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
218.105527697 u |
| Formula |
C12H14N2O2 |
| InChI |
InChI=1S/C12H14N2O2/c15-8-13-5-9-4-10(7-13)11-2-1-3-12(16)14(11)6-9/h1-3,8-10H,4-7H2/t9-,10?/m0/s1 |
| InChIKey |
PCYQRXYBKKZUSR-RGURZIINSA-N |
| Molecular Weight |
218.256 g/mol |
| SMILES |
C1(=O)C=CC=C2N1C[C@]1(CC2CN(C1)C=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969999 |
