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Olanzapine ethyl-A ac

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

Olanzapine ethyl-A ac
SpectraBase Compound ID CcVvLqZWKer
InChI InChI=1S/C16H16N2O2S/c1-3-11-8-12-14(9-19)17-13-6-4-5-7-15(13)18(10(2)20)16(12)21-11/h4-9,12,16H,3H2,1-2H3
InChIKey JWVOBXUWNPFSBH-UHFFFAOYSA-N
Mol Weight 300.38 g/mol
Molecular Formula C16H16N2O2S
Exact Mass 300.093249 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1ElLMXbzBF4
Name Olanzapine ethyl-A ac
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 300.093248935 u
Formula C16H16N2O2S
InChI InChI=1S/C16H16N2O2S/c1-3-11-8-12-14(9-19)17-13-6-4-5-7-15(13)18(10(2)20)16(12)21-11/h4-9,12,16H,3H2,1-2H3
InChIKey JWVOBXUWNPFSBH-UHFFFAOYSA-N
Molecular Weight 300.376 g/mol
SMILES C12C(C(=NC=3C(N2C(=O)C)=CC=CC3)C=O)C=C(S1)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.820581