| SpectraBase Spectrum ID |
96pMEnF9vxy |
| Name |
1-(4-Formylbutyl)-3-(4-methylphenylsulfonyl)-2,6-azinanedione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
351.114043949 u |
| Formula |
C17H21NO5S |
| InChI |
InChI=1S/C17H21NO5S/c1-13-5-7-14(8-6-13)24(22,23)15-9-10-16(20)18(17(15)21)11-3-2-4-12-19/h5-8,12,15H,2-4,9-11H2,1H3 |
| InChIKey |
APGNPCGJVARJFD-UHFFFAOYSA-N |
| Molecular Weight |
351.417 g/mol |
| SMILES |
C1(N(C(CCC1S(=O)(=O)C=1C=CC(=CC1)C)=O)CCCCC=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.834055 |
