| SpectraBase Spectrum ID |
G9enI5fj87h |
| Name |
(4S)-1-Benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
365.199093730 u |
| Formula |
C23H27NO3 |
| InChI |
InChI=1S/C23H27NO3/c1-26-21-12-11-18(13-22(21)27-20-9-5-6-10-20)19-14-23(25)24(16-19)15-17-7-3-2-4-8-17/h2-4,7-8,11-13,19-20H,5-6,9-10,14-16H2,1H3/t19-/m1/s1 |
| InChIKey |
BVWBCENEPRSZES-LJQANCHMSA-N |
| Molecular Weight |
365.473 g/mol |
| SMILES |
C1(N(C[C@@](C1)(C=1C=C(OC2CCCC2)C(=CC1)OC)[H])CC=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.848415 |
