| SpectraBase Spectrum ID |
AyYiUnhvm8k |
| Name |
Trans-1-(4-methoxyphenyl)-3-phthalimido-4-methyl-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 |
382.098728238 u |
| Formula |
C20H18N2O4S |
| InChI |
InChI=1S/C20H18N2O4S/c1-20(27-3)16(19(25)22(20)12-8-10-13(26-2)11-9-12)21-17(23)14-6-4-5-7-15(14)18(21)24/h4-11,16H,1-3H3/t16-,20+/m0/s1 |
| InChIKey |
XYKCXLNRQGFIET-OXJNMPFZSA-N |
| Molecular Weight |
382.434 g/mol |
| SMILES |
[C@]1(N2C(C3=CC=CC=C3C2=O)=O)([C@](SC)(C)N(C1=O)C=1C=CC(=CC1)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.872605 |
