| SpectraBase Spectrum ID |
AT8aEM8UuGN |
| Name |
2,3-Dibenzyloxy-4-nitromethyl-5-nitrocyclopentanol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
373.152537459 u |
| Formula |
C20H23NO6 |
| InChI |
InChI=1S/C20H23NO6/c22-11-16-17(21(24)25)18(23)20(27-13-15-9-5-2-6-10-15)19(16)26-12-14-7-3-1-4-8-14/h1-10,16-20,22-23H,11-13H2 |
| InChIKey |
GBAQWMIBKVTFBJ-UHFFFAOYSA-N |
| Molecular Weight |
373.405 g/mol |
| SMILES |
C1(C(C(OCC2=CC=CC=C2)C(C1O)OCC1=CC=CC=C1)CO)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953733 |
