| SpectraBase Spectrum ID |
26bp45oKTdX |
| Name |
(2S,3R)-4,4-Diethyl-2-(4-nitrophenyl)-3-oxolanol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
265.131408092 u |
| Formula |
C14H19NO4 |
| InChI |
InChI=1S/C14H19NO4/c1-3-14(4-2)9-19-12(13(14)16)10-5-7-11(8-6-10)15(17)18/h5-8,12-13,16H,3-4,9H2,1-2H3/t12-,13-/m0/s1 |
| InChIKey |
VCOORDXUXSOZSP-STQMWFEESA-N |
| Molecular Weight |
265.309 g/mol |
| SMILES |
C1(N(=O)=O)=CC=C([C@@]2(OCC([C@]2(O)[H])(CC)CC)[H])C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.839217 |
