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2,2,2-Trichloroethyl 1-(benzo[D][1,3]dioxol-5-yl)butan-2-ylcarbamate

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

2,2,2-Trichloroethyl 1-(benzo[D][1,3]dioxol-5-yl)butan-2-ylcarbamate
SpectraBase Compound ID 1RL120Ztht9
InChI InChI=1S/C14H16Cl3NO4/c1-2-10(18-13(19)20-7-14(15,16)17)5-9-3-4-11-12(6-9)22-8-21-11/h3-4,6,10H,2,5,7-8H2,1H3,(H,18,19)
InChIKey ZFWDMOBIBXBRPD-UHFFFAOYSA-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 GeqcMHUzPE6
Name 2,2,2-Trichloroethyl 1-(benzo[D][1,3]dioxol-5-yl)butan-2-ylcarbamate
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/c1-2-10(18-13(19)20-7-14(15,16)17)5-9-3-4-11-12(6-9)22-8-21-11/h3-4,6,10H,2,5,7-8H2,1H3,(H,18,19)
InChIKey ZFWDMOBIBXBRPD-UHFFFAOYSA-N
Molecular Weight 368.644 g/mol
SMILES C12=CC(=CC=C2OCO1)CC(NC(OCC(Cl)(Cl)Cl)=O)CC