| SpectraBase Spectrum ID |
BfF0cy0YHnn |
| Name |
Methyl (2S,5E)-2-[(benzyloxycarbonyl)amino]-6-(4'-methoxyphenyl)-4-oxohex-5-enoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
397.152537459 u |
| Formula |
C22H23NO6 |
| InChI |
InChI=1S/C22H23NO6/c1-27-19-12-9-16(10-13-19)8-11-18(24)14-20(21(25)28-2)23-22(26)29-15-17-6-4-3-5-7-17/h3-13,20H,14-15H2,1-2H3,(H,23,26)/b11-8+/t20-/m0/s1 |
| InChIKey |
COWZHZQQYBEVFK-ZBWUASRJSA-N |
| Molecular Weight |
397.427 g/mol |
| SMILES |
C=1C=C(COC(N[C@@](CC(\C=C\C2=CC=C(C=C2)OC)=O)(C(=O)OC)[H])=O)C=CC1 |
![Methyl (2S,5E)-2-[(benzyloxycarbonyl)amino]-6-(4'-methoxyphenyl)-4-oxohex-5-enoate](/api/spectrum/BfF0cy0YHnn/structure.png?h=300&w=458 "Methyl (2S,5E)-2-[(benzyloxycarbonyl)amino]-6-(4'-methoxyphenyl)-4-oxohex-5-enoate")
