| SpectraBase Spectrum ID |
DPPg9uvc5UF |
| Name |
(3S,4S)-Trans-3-chloro-1-isopropyl-4-phenylazetidin-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
223.076391774 u |
| Formula |
C12H14ClNO |
| InChI |
InChI=1S/C12H14ClNO/c1-8(2)14-11(10(13)12(14)15)9-6-4-3-5-7-9/h3-8,10-11H,1-2H3/t10-,11-/m0/s1 |
| InChIKey |
LHHDOUIRHZPADH-QWRGUYRKSA-N |
| Molecular Weight |
223.703 g/mol |
| SMILES |
C1(N(C(C)C)[C@]([C@@]1(Cl)[H])(C1=CC=CC=C1)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.901176 |
