SpectraBase Spectrum ID |
7XlicjPtJ1Z |
Name |
2,8-Diethyl-5,6-dimethylperhydrobispyrrolo[2,1-B:2',1'-F]pyrimidine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
250.240898974 u |
Formula |
C16H30N2 |
InChI |
InChI=1S/C16H30N2/c1-5-13-7-15-11(3)12(4)17-9-14(6-2)8-16(17)18(15)10-13/h11-16H,5-10H2,1-4H3 |
InChIKey |
KIOZPKFSNHDWIQ-UHFFFAOYSA-N |
Molecular Weight |
250.430 g/mol |
SMILES |
C12N(C(C(C3N2CC(C3)CC)C)C)CC(C1)CC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.917441 |