| SpectraBase Spectrum ID |
2dEtgEOyJ6Q |
| Name |
1,6,7-Trihydroxy-1-phenyl-hexahydro-pyrrolizin-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
249.100107963 u |
| Formula |
C13H15NO4 |
| InChI |
InChI=1S/C13H15NO4/c15-9-7-14-10(16)6-13(18,12(14)11(9)17)8-4-2-1-3-5-8/h1-5,9,11-12,15,17-18H,6-7H2 |
| InChIKey |
RAKCXGYPGOMOJK-UHFFFAOYSA-N |
| Molecular Weight |
249.266 g/mol |
| SMILES |
C1N2C(C(C1O)O)C(C1=CC=CC=C1)(O)CC2=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947413 |
