| SpectraBase Spectrum ID |
5S0cBiELaPF |
| Name |
2-Azetidinone, 3-chloro-1-[2-[[(4-methoxyphenyl)methyl]thio]phenyl]-4-(methylthio)-, (3R-trans)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
379.046748870 u |
| Formula |
C18H18ClNO2S2 |
| InChI |
InChI=1S/C18H18ClNO2S2/c1-22-13-9-7-12(8-10-13)11-24-15-6-4-3-5-14(15)20-17(21)16(19)18(20)23-2/h3-10,16,18H,11H2,1-2H3/t16-,18+/m0/s1 |
| InChIKey |
AIIQLDROPFWDPR-FUHWJXTLSA-N |
| Molecular Weight |
379.920 g/mol |
| SMILES |
C1(N([C@@]([C@]1(Cl)[H])(SC)[H])C=1C(SCC2=CC=C(C=C2)OC)=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.818773 |
![2-Azetidinone, 3-chloro-1-[2-[[(4-methoxyphenyl)methyl]thio]phenyl]-4-(methylthio)-, (3R-trans)-](/api/spectrum/5S0cBiELaPF/structure.png?h=300&w=458 "2-Azetidinone, 3-chloro-1-[2-[[(4-methoxyphenyl)methyl]thio]phenyl]-4-(methylthio)-, (3R-trans)-")
