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(3S,4S)-3-benzoxy-4-(1-chloro-1-methyl-ethyl)-1-isopropyl-azetidin-2-one

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

(3S,4S)-3-benzoxy-4-(1-chloro-1-methyl-ethyl)-1-isopropyl-azetidin-2-one
SpectraBase Compound ID IXVN56gO1Pk
InChI InChI=1S/C16H22ClNO2/c1-11(2)18-14(16(3,4)17)13(15(18)19)20-10-12-8-6-5-7-9-12/h5-9,11,13-14H,10H2,1-4H3/t13-,14-/m0/s1
InChIKey QDXDJXQWIYOZSK-KBPBESRZSA-N
Mol Weight 295.81 g/mol
Molecular Formula C16H22ClNO2
Exact Mass 295.133907 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID G0U2mlUT379
Name (3S,4S)-3-Benzoxy-4-(1-chloro-1-methyl-ethyl)-1-isopropyl-azetidin-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 295.133906650 u
Formula C16H22ClNO2
InChI InChI=1S/C16H22ClNO2/c1-11(2)18-14(16(3,4)17)13(15(18)19)20-10-12-8-6-5-7-9-12/h5-9,11,13-14H,10H2,1-4H3/t13-,14-/m0/s1
InChIKey QDXDJXQWIYOZSK-KBPBESRZSA-N
SMILES C1(N([C@@]([C@@]1(OCC=1C=CC=CC1)[H])(C(Cl)(C)C)[H])C(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.937448