| SpectraBase Spectrum ID |
CUrM0rxelFM |
| Name |
(3rs,4rs)-3-[(2rs)-N-Benzylpiperidin-2-yl]-4-hydroxyoxepan-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
303.183443666 u |
| Formula |
C18H25NO3 |
| InChI |
InChI=1S/C18H25NO3/c20-16-10-6-12-22-18(21)17(16)15-9-4-5-11-19(15)13-14-7-2-1-3-8-14/h1-3,7-8,15-17,20H,4-6,9-13H2 |
| InChIKey |
VWDRYEIJLOMRIY-UHFFFAOYSA-N |
| SMILES |
C1(OCCCC(C1C1N(CCCC1)CC=1C=CC=CC1)O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962522 |
![(3rs,4rs)-3-[(2rs)-N-Benzylpiperidin-2-yl]-4-hydroxyoxepan-2-one](/api/spectrum/CUrM0rxelFM/structure.png?h=300&w=458 "(3rs,4rs)-3-[(2rs)-N-Benzylpiperidin-2-yl]-4-hydroxyoxepan-2-one")
