| SpectraBase Spectrum ID |
8QtjHXGCNbk |
| Name |
(2R*,2'R*) and (2S*,2',S*)-2'-[1''-(phenylacetyl)-2-pyrrolidinyl]-cyclohexanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
285.172878983 u |
| Formula |
C18H23NO2 |
| InChI |
InChI=1S/C18H23NO2/c20-17-11-5-4-9-15(17)16-10-6-12-19(16)18(21)13-14-7-2-1-3-8-14/h1-3,7-8,15-16H,4-6,9-13H2/t15-,16-/m1/s1 |
| InChIKey |
CZQNZBCSSJHXJH-HZPDHXFCSA-N |
| SMILES |
C(N1[C@@]([C@@]2(C(=O)CCCC2)[H])(CCC1)[H])(CC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.866938 |
![(2R*,2'R*) and (2S*,2',S*)-2'-[1"-(Phenylacetyl)-2-pyrrolidinyl]-cyclohexanone](/api/spectrum/8QtjHXGCNbk/structure.png?h=300&w=458 "(2R*,2'R*) and (2S*,2',S*)-2'-[1\"-(Phenylacetyl)-2-pyrrolidinyl]-cyclohexanone")
