| SpectraBase Spectrum ID |
DgnEfKsnWhI |
| Name |
(2S)-N-(2-Nitrobenzoyl)pyrrolidinemethanol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.095356935 u |
| Formula |
C12H14N2O4 |
| InChI |
InChI=1S/C12H14N2O4/c15-8-9-4-3-7-13(9)12(16)10-5-1-2-6-11(10)14(17)18/h1-2,5-6,9,15H,3-4,7-8H2/t9-/m0/s1 |
| InChIKey |
WSNWTEDNJVCMEI-VIFPVBQESA-N |
| Molecular Weight |
250.254 g/mol |
| SMILES |
C(C=1C(N(=O)=O)=CC=CC1)(N1[C@](CO)(CCC1)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946196 |
