| SpectraBase Spectrum ID |
K5gBFfa2Be8 |
| Name |
3-((S)-1-Benzyl-piperidin-2-yl)-6,7-dihydro-5H-oxepin-2-one |
| 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/c20-18-16(10-5-7-13-21-18)17-11-4-6-12-19(17)14-15-8-2-1-3-9-15/h1-3,8-10,17H,4-7,11-14H2/t17-/m0/s1 |
| InChIKey |
UQOCCOVSMOHMMZ-KRWDZBQOSA-N |
| SMILES |
C=1([C@]2(N(CC3=CC=CC=C3)CCCC2)[H])C(OCCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935746 |
