| SpectraBase Spectrum ID |
56EwLMmXxWD |
| Name |
1-Benzyl-4-(dimethoxymethyl)-3-methyl-5-tosylpiperidine-2,6-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
445.155908761 u |
| Formula |
C23H27NO6S |
| InChI |
InChI=1S/C23H27NO6S/c1-15-10-12-18(13-11-15)31(27,28)20-19(23(29-3)30-4)16(2)21(25)24(22(20)26)14-17-8-6-5-7-9-17/h5-13,16,19-20,23H,14H2,1-4H3 |
| InChIKey |
BBBCPWVHSVTYTI-UHFFFAOYSA-N |
| Molecular Weight |
445.530 g/mol |
| SMILES |
C1(C(C(C(N(C1=O)CC1=CC=CC=C1)=O)C)C(OC)OC)S(C1=CC=C(C=C1)C)(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.867159 |
