| SpectraBase Spectrum ID |
IPm0OqlGetm |
| Name |
Pentanamide, 2,3,4,5-tetraacetoxy-N-(4-chlorophenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
443.098308983 u |
| Formula |
C19H22ClNO9 |
| InChI |
InChI=1S/C19H22ClNO9/c1-10(22)27-9-16(28-11(2)23)17(29-12(3)24)18(30-13(4)25)19(26)21-15-7-5-14(20)6-8-15/h5-8,16-18H,9H2,1-4H3,(H,21,26)/t16-,17-,18+/m1/s1 |
| InChIKey |
MEUXRWPSGKEJIB-KURKYZTESA-N |
| Molecular Weight |
443.836 g/mol |
| SMILES |
[C@@]([C@@]([C@](OC(C)=O)(COC(C)=O)[H])(OC(C)=O)[H])(C(NC=1C=CC(=CC1)Cl)=O)(OC(C)=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.983846 |
