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Eseroline, [4-chlorophenyl]carbamate(ester)

View entire compound with spectra: 1 NMR, and 1 FTIR

Eseroline, [4-chlorophenyl]carbamate(ester)
SpectraBase Compound ID 6Azdm5tVbIs
InChI InChI=1S/C20H22ClN3O2/c1-20-10-11-23(2)18(20)24(3)17-9-8-15(12-16(17)20)26-19(25)22-14-6-4-13(21)5-7-14/h4-9,12,18H,10-11H2,1-3H3,(H,22,25)
InChIKey FAEIGAUSWCZPCA-UHFFFAOYSA-N
Mol Weight 371.87 g/mol
Molecular Formula C20H22ClN3O2
Exact Mass 371.140055 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Doo2vmr1brY
Name Eseroline, [4-chlorophenyl]carbamate(ester)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 371.140054658 u
Formula C20H22ClN3O2
InChI InChI=1S/C20H22ClN3O2/c1-20-10-11-23(2)18(20)24(3)17-9-8-15(12-16(17)20)26-19(25)22-14-6-4-13(21)5-7-14/h4-9,12,18H,10-11H2,1-3H3,(H,22,25)
InChIKey FAEIGAUSWCZPCA-UHFFFAOYSA-N
Molecular Weight 371.868 g/mol
SMILES C1=C(C=CC2=C1C1(CCN(C1N2C)C)C)OC(=O)NC1=CC=C(C=C1)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.888643