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Sertraline-m (-CH3,enol) 2ac

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

Sertraline-m (-CH3,enol) 2ac
SpectraBase Compound ID LJwvO69osXG
InChI InChI=1S/C20H15Cl2NO3/c1-11(24)23-20-15-6-4-3-5-14(15)16(10-19(20)26-12(2)25)13-7-8-17(21)18(22)9-13/h3-10H,1-2H3,(H,23,24)
InChIKey FQIJMOIVWKIEBB-UHFFFAOYSA-N
Mol Weight 388.25 g/mol
Molecular Formula C20H15Cl2NO3
Exact Mass 387.042899 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LQSld7jHjMH
Name Sertraline-m (-CH3,enol) 2ac
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 387.042898744 u
Formula C20H15Cl2NO3
InChI InChI=1S/C20H15Cl2NO3/c1-11(24)23-20-15-6-4-3-5-14(15)16(10-19(20)26-12(2)25)13-7-8-17(21)18(22)9-13/h3-10H,1-2H3,(H,23,24)
InChIKey FQIJMOIVWKIEBB-UHFFFAOYSA-N
Molecular Weight 388.250 g/mol
SMILES C=1(C=2C(C(C3=CC(=C(C=C3)Cl)Cl)=CC1OC(=O)C)=CC=CC2)NC(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.955576