| SpectraBase Spectrum ID |
6vxqnr4wMBx |
| Name |
cis-3-[3-(m-Methoxyphenyl)propyl]-4-hyroxy-1,3-diazabicyclo[3.3.0]octan-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
290.163042573 u |
| Formula |
C16H22N2O3 |
| InChI |
InChI=1S/C16H22N2O3/c1-21-13-7-2-5-12(11-13)6-3-10-18-15(19)14-8-4-9-17(14)16(18)20/h2,5,7,11,14-15,19H,3-4,6,8-10H2,1H3/t14-,15-/m1/s1 |
| InChIKey |
YSMVDWLHTCCSQU-HUUCEWRRSA-N |
| SMILES |
C1(N([C@@]([C@]2(CCCN12)[H])(O)[H])CCCC=1C=C(OC)C=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969429 |
![cis-3-[3-(m-Methoxyphenyl)propyl]-4-hyroxy-1,3-diazabicyclo[3.3.0]octan-2-one](/api/spectrum/6vxqnr4wMBx/structure.png?h=300&w=458 "cis-3-[3-(m-Methoxyphenyl)propyl]-4-hyroxy-1,3-diazabicyclo[3.3.0]octan-2-one")
