| SpectraBase Spectrum ID |
4FhRSd2Cwnn |
| Name |
(3ar,6as)-cis-6-(Phenylmethyl)octahydropyrrolo[2,3-B]pyrrole-1-carboxaldehyde |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
230.141913207 u |
| Formula |
C14H18N2O |
| InChI |
InChI=1S/C14H18N2O/c17-11-16-9-7-13-6-8-15(14(13)16)10-12-4-2-1-3-5-12/h1-5,11,13-14H,6-10H2/t13-,14+/m1/s1 |
| InChIKey |
GLGZQSLXJLUVQR-KGLIPLIRSA-N |
| Molecular Weight |
230.311 g/mol |
| SMILES |
[C@]12(N(CC[C@@]1(CCN2C=O)[H])CC1=CC=CC=C1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974433 |
![(3ar,6as)-cis-6-(Phenylmethyl)octahydropyrrolo[2,3-B]pyrrole-1-carboxaldehyde](/api/spectrum/4FhRSd2Cwnn/structure.png?h=300&w=458 "(3ar,6as)-cis-6-(Phenylmethyl)octahydropyrrolo[2,3-B]pyrrole-1-carboxaldehyde")
