SpectraBase Spectrum ID |
8qge9wtgeuY |
Name |
3,5-Methanocyclopenta[B]pyrrol-2(1H)-one, hexahydro-1-(phenylmethyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
227.131014170 u |
Formula |
C15H17NO |
InChI |
InChI=1S/C15H17NO/c17-15-13-7-11-6-12(13)14(8-11)16(15)9-10-4-2-1-3-5-10/h1-5,11-14H,6-9H2/t11-,12+,13-,14+/m0/s1 |
InChIKey |
JLGNATBVRNHRLI-RFQIPJPRSA-N |
Molecular Weight |
227.307 g/mol |
SMILES |
C1(N([C@@]2(C[C@@]3(C[C@]1([C@]2(C3)[H])[H])[H])[H])CC=1C=CC=CC1)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.897913 |