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(S)-2,2,2-trichloroethyl 1-(benzo[d][1,3]dioxol-5-yl)propan-2-yl(methyl)carbamate

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(S)-2,2,2-trichloroethyl 1-(benzo[d][1,3]dioxol-5-yl)propan-2-yl(methyl)carbamate
SpectraBase Compound ID D7xgz6O8OwV
InChI InChI=1S/C14H16Cl3NO4/c1-9(18(2)13(19)20-7-14(15,16)17)5-10-3-4-11-12(6-10)22-8-21-11/h3-4,6,9H,5,7-8H2,1-2H3/t9-/m0/s1
InChIKey RUEIKWWNAPTTRU-VIFPVBQESA-N
Mol Weight 368.64 g/mol
Molecular Formula C14H16Cl3NO4
Exact Mass 367.014491 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HUcYZPN03ts
Name (S)-2,2,2-Trichloroethyl 1-(benzo[D][1,3]dioxol-5-yl)propan-2-yl(methyl)carbamate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 367.014491095 u
Formula C14H16Cl3NO4
InChI InChI=1S/C14H16Cl3NO4/c1-9(18(2)13(19)20-7-14(15,16)17)5-10-3-4-11-12(6-10)22-8-21-11/h3-4,6,9H,5,7-8H2,1-2H3/t9-/m0/s1
InChIKey RUEIKWWNAPTTRU-VIFPVBQESA-N
Molecular Weight 368.644 g/mol
SMILES C12=CC(=CC=C2OCO1)C[C@@](N(C(OCC(Cl)(Cl)Cl)=O)C)(C)[H]