| SpectraBase Spectrum ID |
52unde0RJ1b |
| Name |
(S,E)-3-(Phenylimino)hexahydro-1H-pyrrolo[1,2-C]imidazol-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
215.105862050 u |
| Formula |
C12H13N3O |
| InChI |
InChI=1S/C12H13N3O/c16-11-10-7-4-8-15(10)12(14-11)13-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,13,14,16)/t10-/m0/s1 |
| InChIKey |
XSOODJOWQJGFGM-JTQLQIEISA-N |
| Molecular Weight |
215.256 g/mol |
| SMILES |
C1(N\C(N2[C@]1(CCC2)[H])=N/C1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.873201 |
![(S,E)-3-(phenylimino)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one](/api/spectrum/52unde0RJ1b/structure.png?h=300&w=458 "(S,E)-3-(phenylimino)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one")
