| SpectraBase Spectrum ID |
JrZBwB8J5Yb |
| Name |
1,1-Dimethyl-5-(3-(1,1-dimethyl-3,4-dioxofuro[3,4-C]pyridin-5(1H,3H,4H)-yl)propyl)furo[3,4-C]pyridine-3,4(1H,5H)-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
398.147786430 u |
| Formula |
C21H22N2O6 |
| InChI |
InChI=1S/C21H22N2O6/c1-20(2)12-6-10-22(16(24)14(12)18(26)28-20)8-5-9-23-11-7-13-15(17(23)25)19(27)29-21(13,3)4/h6-7,10-11H,5,8-9H2,1-4H3 |
| InChIKey |
FFLNBWJTKGPYFQ-UHFFFAOYSA-N |
| Molecular Weight |
398.415 g/mol |
| SMILES |
C1=2C(OC(C2C=CN(C1=O)CCCN1C(C=2C(OC(C2C=C1)(C)C)=O)=O)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.862069 |
![1,1-Dimethyl-5-(3-(1,1-dimethyl-3,4-dioxofuro[3,4-c]pyridin-5(1H,3H,4H)-yl)propyl)furo[3,4-c]pyridine-3,4(1H,5H)-dione](/api/spectrum/JrZBwB8J5Yb/structure.png?h=300&w=458 "1,1-Dimethyl-5-(3-(1,1-dimethyl-3,4-dioxofuro[3,4-c]pyridin-5(1H,3H,4H)-yl)propyl)furo[3,4-c]pyridine-3,4(1H,5H)-dione")
