| SpectraBase Spectrum ID |
AgMYwxBKQvN |
| Name |
(R)-4-Allyl-4-benzyl-2-((S)-2-(methoxymethyl)pyrrolidine-1-carbonyl)cyclohex-2-enone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
367.214743795 u |
| Formula |
C23H29NO3 |
| InChI |
InChI=1S/C23H29NO3/c1-3-12-23(15-18-8-5-4-6-9-18)13-11-21(25)20(16-23)22(26)24-14-7-10-19(24)17-27-2/h3-6,8-9,16,19H,1,7,10-15,17H2,2H3/t19-,23-/m0/s1 |
| InChIKey |
KUKGBCUDHNQQRZ-CVDCTZTESA-N |
| Molecular Weight |
367.489 g/mol |
| SMILES |
C([C@@]1(C=C(C(=O)CC1)C(N1[C@@](CCC1)(COC)[H])=O)CC1=CC=CC=C1)C=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.817838 |
