| SpectraBase Spectrum ID |
30EZrEtGKvI |
| Name |
(2R,3R)-4,4-Dimethoxy-2-methyl-3-nitromethyl-butyraldehyde |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
205.095022582 u |
| Formula |
C8H15NO5 |
| InChI |
InChI=1S/C8H15NO5/c1-6(5-10)7(4-9(11)12)8(13-2)14-3/h5-8H,4H2,1-3H3/t6-,7-/m0/s1 |
| InChIKey |
ODTYCYJCXRQAKT-BQBZGAKWSA-N |
| Molecular Weight |
205.210 g/mol |
| SMILES |
C(=O)[C@@]([C@](C[N+](=O)[O-])(C(OC)OC)[H])(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.975683 |
