| SpectraBase Spectrum ID |
A0uavDpt0ce |
| Name |
1H-Pyrrole-3-propanoic acid, 5-(cyanomethyl)-2-[(1,1-dimethylethoxy)carbonyl]-4-(2-methoxy-2-oxoethyl)-, methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
364.163436495 u |
| Formula |
C18H24N2O6 |
| InChI |
InChI=1S/C18H24N2O6/c1-18(2,3)26-17(23)16-11(6-7-14(21)24-4)12(10-15(22)25-5)13(20-16)8-9-19/h20H,6-8,10H2,1-5H3 |
| InChIKey |
USAIHDUVAHOHFZ-UHFFFAOYSA-N |
| Molecular Weight |
364.398 g/mol |
| SMILES |
C1(=C(C(CC(=O)OC)=C(N1)CC#N)CCC(=O)OC)C(OC(C)(C)C)=O |
![1H-Pyrrole-3-propanoic acid, 5-(cyanomethyl)-2-[(1,1-dimethylethoxy)carbonyl]-4-(2-methoxy-2-oxoethyl)-, methyl ester](/api/spectrum/A0uavDpt0ce/structure.png?h=300&w=458 "1H-Pyrrole-3-propanoic acid, 5-(cyanomethyl)-2-[(1,1-dimethylethoxy)carbonyl]-4-(2-methoxy-2-oxoethyl)-, methyl ester")
