| SpectraBase Spectrum ID |
KIFUbZtvUV3 |
| Name |
[2-(2'-oxo-4'-Phenylazetidin-1'-yl)acetyl]-L-valine - benzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
394.189257321 u |
| Formula |
C23H26N2O4 |
| InChI |
InChI=1S/C23H26N2O4/c1-16(2)22(23(28)29-15-17-9-5-3-6-10-17)24-20(26)14-25-19(13-21(25)27)18-11-7-4-8-12-18/h3-12,16,19,22H,13-15H2,1-2H3,(H,24,26)/t19?,22-/m0/s1 |
| InChIKey |
JSTFQBLVSMRISC-BPARTEKVSA-N |
| Molecular Weight |
394.471 g/mol |
| SMILES |
C1(N(C(C1)C1=CC=CC=C1)CC(N[C@](C(OCC=1C=CC=CC1)=O)(C(C)C)[H])=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933665 |
![[2-(2'-Oxo-4'-phenylazetidin-1'-yl)acetyl]-L-valine - benzyl ester](/api/spectrum/KIFUbZtvUV3/structure.png?h=300&w=458 "[2-(2'-Oxo-4'-phenylazetidin-1'-yl)acetyl]-L-valine - benzyl ester")
