| SpectraBase Spectrum ID |
4R4RoVQvhmq |
| Name |
(S)-Hexahydro-2-phenyl-1H-pyrrolo[1,2-C]imidazole-3-carboxylic acid, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
246.136827826 u |
| Formula |
C14H18N2O2 |
| InChI |
InChI=1S/C14H18N2O2/c1-18-14(17)13-15-9-5-8-12(15)10-16(13)11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10H2,1H3/t12-,13+/m0/s1 |
| InChIKey |
IVRYBIASBRGJQI-QWHCGFSZSA-N |
| Molecular Weight |
246.310 g/mol |
| SMILES |
COC([C@@]1(N2[C@@](CCC2)(CN1C=1C=CC=CC1)[H])[H])=O |
| Spectrum/Structure Validation Score (Raman) |
0.785437 |
![(S)-Hexahydro-2-phenyl-1H-pyrrolo[1,2-C]imidazole-3-carboxylic acid, methyl ester](/api/spectrum/4R4RoVQvhmq/structure.png?h=300&w=458 "(S)-Hexahydro-2-phenyl-1H-pyrrolo[1,2-C]imidazole-3-carboxylic acid, methyl ester")
