| SpectraBase Spectrum ID |
EpvsntngwAZ |
| Name |
(1R,2R,4S)-3-[(1S)-1-Phenylethyl]-3-azabicyclo[2.2.1]heptane-2-carbaldehyde |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
229.146664235 u |
| Formula |
C15H19NO |
| InChI |
InChI=1S/C15H19NO/c1-11(12-5-3-2-4-6-12)16-14-8-7-13(9-14)15(16)10-17/h2-6,10-11,13-15H,7-9H2,1H3/t11-,13+,14-,15-/m0/s1 |
| InChIKey |
RKIRKQFRFADKAG-ATGSNQNLSA-N |
| Molecular Weight |
229.323 g/mol |
| SMILES |
[C@@]12(N([C@]([C@@](C2)(CC1)[H])(C=O)[H])[C@](C=1C=CC=CC1)(C)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.895962 |
![(1R,2R,4S)-3-[(1S)-1-phenylethyl]-3-azabicyclo[2.2.1]heptane-2-carbaldehyde](/api/spectrum/EpvsntngwAZ/structure.png?h=300&w=458 "(1R,2R,4S)-3-[(1S)-1-phenylethyl]-3-azabicyclo[2.2.1]heptane-2-carbaldehyde")
