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cis-4-[(1-Chloro-1-methyl)-ethyl]-1-isopropyl-3-methoxy-azetidin-2-one
SpectraBase Compound ID JByzjiNXAAn
InChI InChI=1S/C10H18ClNO2/c1-6(2)12-8(10(3,4)11)7(14-5)9(12)13/h6-8H,1-5H3/t7-,8-/m0/s1
InChIKey TUGINYXRTGHQQE-YUMQZZPRSA-N
Mol Weight 219.71 g/mol
Molecular Formula C10H18ClNO2
Exact Mass 219.102607 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1gvHVTbeaDD
Name cis-4-[(1-Chloro-1-methyl)-ethyl]-1-isopropyl-3-methoxy-azetidin-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 219.102606522 u
Formula C10H18ClNO2
InChI InChI=1S/C10H18ClNO2/c1-6(2)12-8(10(3,4)11)7(14-5)9(12)13/h6-8H,1-5H3/t7-,8-/m0/s1
InChIKey TUGINYXRTGHQQE-YUMQZZPRSA-N
Molecular Weight 219.712 g/mol
SMILES C1(N([C@@]([C@@]1(OC)[H])(C(Cl)(C)C)[H])C(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.875298