| SpectraBase Spectrum ID |
GEOcZUUzTeE |
| Name |
Trans-1-(4-methoxyphenyl)-3-phenoxy-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 |
329.108564647 u |
| Formula |
C18H19NO3S |
| InChI |
InChI=1S/C18H19NO3S/c1-18(23-3)16(22-15-7-5-4-6-8-15)17(20)19(18)13-9-11-14(21-2)12-10-13/h4-12,16H,1-3H3/t16-,18+/m0/s1 |
| InChIKey |
WXPHSBUKGYOGRU-FUHWJXTLSA-N |
| Molecular Weight |
329.414 g/mol |
| SMILES |
[C@]1(N(C([C@@]1(OC1=CC=CC=C1)[H])=O)C=1C=CC(=CC1)OC)(SC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.917143 |
