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Oxoapomorphine
SpectraBase Compound ID Btr4eFdn74z
InChI InChI=1S/C17H13NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,9H,7-8H2,1H3
InChIKey DZZIOGKZAPZOCK-UHFFFAOYSA-N
Mol Weight 263.3 g/mol
Molecular Formula C17H13NO2
Exact Mass 263.094629 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LGNoNiJGUc8
Name Oxoapomorphine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 263.094628661 u
Formula C17H13NO2
InChI InChI=1S/C17H13NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,9H,7-8H2,1H3
InChIKey DZZIOGKZAPZOCK-UHFFFAOYSA-N
Molecular Weight 263.296 g/mol
SMILES C1=2C3=C(C=CC=C3CCN1C)C1=C(C2)C=CC(=O)C1=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.871667