| SpectraBase Spectrum ID |
DOAlJwLIeGa |
| Name |
syn-2,2-Diethoxy-6-nitro-5-methyl-6-phenylhexan-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
323.173272904 u |
| Formula |
C17H25NO5 |
| InChI |
InChI=1S/C17H25NO5/c1-5-22-17(4,23-6-2)15(19)12-13(3)16(18(20)21)14-10-8-7-9-11-14/h7-11,13,16H,5-6,12H2,1-4H3 |
| InChIKey |
PEWOLCLEEPZMKE-UHFFFAOYSA-N |
| Molecular Weight |
323.389 g/mol |
| SMILES |
C(N(=O)=O)(C(CC(C(OCC)(OCC)C)=O)C)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958295 |
