| SpectraBase Spectrum ID |
LlGXY8NxeKV |
| Name |
4-(2-Amino-1-hydroxyethyl)-2-methoxyphenol, N,o,o'-tri(ethoxycarbonyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
399.152931380 u |
| Formula |
C18H25NO9 |
| InChI |
InChI=1S/C18H25NO9/c1-5-24-16(20)19-11-15(28-18(22)26-7-3)12-8-9-13(14(10-12)23-4)27-17(21)25-6-2/h8-10,15H,5-7,11H2,1-4H3,(H,19,20) |
| InChIKey |
OZILXRQTPYIAKZ-UHFFFAOYSA-N |
| Molecular Weight |
399.396 g/mol |
| SMILES |
C1(=CC(=CC=C1OC(OCC)=O)C(OC(OCC)=O)CNC(OCC)=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.900562 |
