| SpectraBase Spectrum ID |
A0tWDFIJMrW |
| Name |
1-(Benhydryl)-3-[(ethoxycarbonyl)aziridin-2-yl]-phenylene-1,2-diacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
473.183837587 u |
| Formula |
C28H27NO6 |
| InChI |
InChI=1S/C28H27NO6/c1-4-33-28(32)26-25(22-16-11-17-23(34-18(2)30)27(22)35-19(3)31)29(26)24(20-12-7-5-8-13-20)21-14-9-6-10-15-21/h5-17,24-26H,4H2,1-3H3 |
| InChIKey |
AFCYWYKCGYVFRK-UHFFFAOYSA-N |
| Molecular Weight |
473.525 g/mol |
| SMILES |
C1(N(C1C1=C(C(OC(=O)C)=CC=C1)OC(=O)C)C(C1=CC=CC=C1)C=1C=CC=CC1)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.830732 |
![1-(Benhydryl)-3-[(ethoxycarbonyl)aziridin-2-yl]-phenylene-1,2-diacetate](/api/spectrum/A0tWDFIJMrW/structure.png?h=300&w=458 "1-(Benhydryl)-3-[(ethoxycarbonyl)aziridin-2-yl]-phenylene-1,2-diacetate")
