| SpectraBase Spectrum ID |
KlNClkWfUda |
| Name |
2-Acetoxy-1-(N-acetyl-N-isopropyl)amino-3-[4-(1-acetoxy-2-methoxyethyl)phenoxy]propane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
409.210052335 u |
| Formula |
C21H31NO7 |
| InChI |
InChI=1S/C21H31NO7/c1-14(2)22(15(3)23)11-20(28-16(4)24)12-27-19-9-7-18(8-10-19)21(13-26-6)29-17(5)25/h7-10,14,20-21H,11-13H2,1-6H3 |
| InChIKey |
QFBFMFXEFRQGJG-UHFFFAOYSA-N |
| Molecular Weight |
409.479 g/mol |
| SMILES |
C1(OCC(CN(C(C)=O)C(C)C)OC(=O)C)=CC=C(C=C1)C(OC(=O)C)COC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918555 |
![2-Acetoxy-1-(N-acetyl-N-isopropyl)amino-3-[4-(1-acetoxy-2-methoxyethyl)phenoxy]propane](/api/spectrum/KlNClkWfUda/structure.png?h=300&w=458 "2-Acetoxy-1-(N-acetyl-N-isopropyl)amino-3-[4-(1-acetoxy-2-methoxyethyl)phenoxy]propane")
