| SpectraBase Spectrum ID |
FQxkrEXrvZV |
| Name |
2-Methyl-1-oxidanidyl-5-[2-(3-phenylprop-1-ynyl)cyclopenten-1-yl]-3,4-dihydro-2H-pyrrol-1-ium |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
279.162314299 u |
| Formula |
C19H21NO |
| InChI |
InChI=1S/C19H21NO/c1-15-13-14-19(20(15)21)18-12-6-11-17(18)10-5-9-16-7-3-2-4-8-16/h2-4,7-8,15H,6,9,11-14H2,1H3 |
| InChIKey |
LWNYRZLSDAHYJX-UHFFFAOYSA-N |
| SMILES |
C1(=[N+](C(CC1)C)[O-])C1=C(C#CCC2=CC=CC=C2)CCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.917626 |
![2-Methyl-1-oxidanidyl-5-[2-(3-phenylprop-1-ynyl)cyclopenten-1-yl]-3,4-dihydro-2H-pyrrol-1-ium](/api/spectrum/FQxkrEXrvZV/structure.png?h=300&w=458 "2-Methyl-1-oxidanidyl-5-[2-(3-phenylprop-1-ynyl)cyclopenten-1-yl]-3,4-dihydro-2H-pyrrol-1-ium")
