| SpectraBase Spectrum ID |
Asqq6v9Y4I8 |
| Name |
Benzeneethanamine, 4,5-diacetoxy-N-[[4-acetoxy-5-methoxyphenyl]acetyl]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
443.158016761 u |
| Formula |
C23H25NO8 |
| InChI |
InChI=1S/C23H25NO8/c1-14(25)30-19-8-6-18(12-21(19)29-4)13-23(28)24-10-9-17-5-7-20(31-15(2)26)22(11-17)32-16(3)27/h5-8,11-12H,9-10,13H2,1-4H3,(H,24,28) |
| InChIKey |
INMOVFBDNUGEGY-UHFFFAOYSA-N |
| Molecular Weight |
443.452 g/mol |
| SMILES |
C1(=CC(=C(C=C1)OC(=O)C)OC(C)=O)CCNC(=O)CC1=CC=C(C(=C1)OC)OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.888238 |
![Benzeneethanamine, 4,5-diacetoxy-N-[[4-acetoxy-5-methoxyphenyl]acetyl]-](/api/spectrum/Asqq6v9Y4I8/structure.png?h=300&w=458 "Benzeneethanamine, 4,5-diacetoxy-N-[[4-acetoxy-5-methoxyphenyl]acetyl]-")
