| SpectraBase Spectrum ID |
5PaTDHegbm0 |
| Name |
4-Pyrrolidino-5-nitro veratrole |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.111006999 u |
| Formula |
C12H16N2O4 |
| InChI |
InChI=1S/C12H16N2O4/c1-17-11-7-9(13-5-3-4-6-13)10(14(15)16)8-12(11)18-2/h7-8H,3-6H2,1-2H3 |
| InChIKey |
KQLBSEKXMAMJNT-UHFFFAOYSA-N |
| Molecular Weight |
252.270 g/mol |
| SMILES |
C1(OC)=CC(N(=O)=O)=C(C=C1OC)N1CCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.876756 |
