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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2kclcx0p4G8
Name Olanzapine ethyl-A AC
Classification Pharmaceutical drug, antipsychotic
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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
Ionization Type Electron Ionization (EI)
Molecular Weight 300.376 g/mol
Nominal Mass 300 u
Quality 898
Retention Index 2375
SMILES C12C(C(=NC=3C(N2C(=O)C)=CC=CC3)C=O)C=C(S1)CC
SPLASH splash10-0a4i-0291000000-9e38104de9c7f7fc6cd5
Sample Comments Structure uncertain
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 10-acetyl-2-ethyl-10,10a-dihydro-3aH-thieno[2,3-b][1,5]benzodiazepine-4-carbaldehyde
Technique GC/MS
Wiley ID DD2024_003388