| SpectraBase Spectrum ID |
KE5LLNghWng |
| Name |
Trans-1-(4-methoxyphenyl)-3-phthalimido-4-phenylmethyl-4-methylthio-azetidin-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
458.130028366 u |
| Formula |
C26H22N2O4S |
| InChI |
InChI=1S/C26H22N2O4S/c1-32-19-14-12-18(13-15-19)28-25(31)22(26(28,33-2)16-17-8-4-3-5-9-17)27-23(29)20-10-6-7-11-21(20)24(27)30/h3-15,22H,16H2,1-2H3/t22-,26+/m0/s1 |
| InChIKey |
YOJHKGFQRWTRLN-BKMJKUGQSA-N |
| Molecular Weight |
458.532 g/mol |
| SMILES |
[C@]1(N2C(C3=CC=CC=C3C2=O)=O)([C@@](CC=2C=CC=CC2)(SC)N(C1=O)C=1C=CC(=CC1)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.906183 |
