| SpectraBase Spectrum ID |
1WfbirFxyXG |
| Name |
Pyrrol-5-formamide, N-[2-[1-pyrrolyl]ethyl]-1-[3,4-dichlorophenacetyl]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
397.132382455 u |
| Formula |
C19H25Cl2N3O2 |
| InChI |
InChI=1S/C19H25Cl2N3O2/c20-15-6-5-14(12-16(15)21)13-18(25)24-10-3-4-17(24)19(26)22-7-11-23-8-1-2-9-23/h5-6,12,17H,1-4,7-11,13H2,(H,22,26) |
| InChIKey |
UXGWOMKAUWPTHF-UHFFFAOYSA-N |
| Molecular Weight |
398.334 g/mol |
| SMILES |
C1(=CC(=CC=C1Cl)CC(=O)N1C(CCC1)C(NCCN1CCCC1)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.842534 |
![Pyrrol-5-formamide, N-[2-[1-pyrrolyl]ethyl]-1-[3,4-dichlorophenacetyl]-](/api/spectrum/1WfbirFxyXG/structure.png?h=300&w=458 "Pyrrol-5-formamide, N-[2-[1-pyrrolyl]ethyl]-1-[3,4-dichlorophenacetyl]-")
