| SpectraBase Spectrum ID |
JbcmG6K1KAR |
| Name |
(Z,Z)-4-{5-[2-[(Tert-butyloxycarbonyl)amino]-2-(methoxycarbonyl)ethenyl]-2-methoxyphenoxy}-1-{2-[(T-butyloxycarbonyl)amino]-2-(methoxycarbonyl)ethenyl}benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
598.252645422 u |
| Formula |
C31H38N2O10 |
| InChI |
InChI=1S/C31H38N2O10/c1-30(2,3)42-28(36)32-22(26(34)39-8)16-19-10-13-21(14-11-19)41-25-18-20(12-15-24(25)38-7)17-23(27(35)40-9)33-29(37)43-31(4,5)6/h10-18H,1-9H3,(H,32,36)(H,33,37)/b22-16-,23-17- |
| InChIKey |
QQEVCDPQFWXXMI-IDUDEYGOSA-N |
| Molecular Weight |
598.649 g/mol |
| SMILES |
C(N\C(=C/C1=CC(OC2=CC=C(\C=C\(NC(OC(C)(C)C)=O)C(=O)OC)C=C2)=C(C=C1)OC)C(=O)OC)(OC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947639 |
![(Z,Z)-4-{5-[2-[(tert-Butyloxycarbonyl)amino]-2-(methoxycarbonyl)ethenyl]-2-methoxyphenoxy}-1-{2-[(t-butyloxycarbonyl)amino]-2-(methoxycarbonyl)ethenyl}benzene](/api/spectrum/JbcmG6K1KAR/structure.png?h=300&w=458 "(Z,Z)-4-{5-[2-[(tert-Butyloxycarbonyl)amino]-2-(methoxycarbonyl)ethenyl]-2-methoxyphenoxy}-1-{2-[(t-butyloxycarbonyl)amino]-2-(methoxycarbonyl)ethenyl}benzene")
