| SpectraBase Spectrum ID |
AfoobEpBSNM |
| Name |
1H-2-Pyrrolecarboxylic acid, 4-acetyl-5-[(aetyloxy)methyl]-3-(3-ethoxy-3-oxopropyl)-, ethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
353.147452078 u |
| Formula |
C17H23NO7 |
| InChI |
InChI=1S/C17H23NO7/c1-5-23-14(21)8-7-12-15(10(3)19)13(9-25-11(4)20)18-16(12)17(22)24-6-2/h18H,5-9H2,1-4H3 |
| InChIKey |
DWJFHUDFVHQIGS-UHFFFAOYSA-N |
| Molecular Weight |
353.371 g/mol |
| SMILES |
C(=O)(OCC)C=1NC(COC(=O)C)=C(C1CCC(OCC)=O)C(C)=O |
![1H-2-Pyrrolecarboxylic acid, 4-acetyl-5-[(aetyloxy)methyl]-3-(3-ethoxy-3-oxopropyl)-, ethyl ester](/api/spectrum/AfoobEpBSNM/structure.png?h=300&w=458 "1H-2-Pyrrolecarboxylic acid, 4-acetyl-5-[(aetyloxy)methyl]-3-(3-ethoxy-3-oxopropyl)-, ethyl ester")
