| SpectraBase Spectrum ID |
ATUKR2KyUJ1 |
| Name |
4-(Dimethylamino)-N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-methoxy-5-nitrobenzamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
350.195405329 u |
| Formula |
C17H26N4O4 |
| InChI |
InChI=1S/C17H26N4O4/c1-5-20-8-6-7-12(20)11-18-17(22)13-9-15(21(23)24)14(19(2)3)10-16(13)25-4/h9-10,12H,5-8,11H2,1-4H3,(H,18,22) |
| InChIKey |
AFNPLUMDSLEAPD-UHFFFAOYSA-N |
| Molecular Weight |
350.419 g/mol |
| SMILES |
C1(N(=O)=O)=C(C=C(C(=C1)C(=O)NCC1N(CCC1)CC)OC)N(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.85337 |
![4-(Dimethylamino)-N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-methoxy-5-nitrobenzamide](/api/spectrum/ATUKR2KyUJ1/structure.png?h=300&w=458 "4-(Dimethylamino)-N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-methoxy-5-nitrobenzamide")
