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5,6,7,8,15-Pentahydro-9H,15-ethanobenzo[4,5]thieno[2,3-b]benzo[e]azecin-5-one
SpectraBase Compound ID 6p5mLX2XXUY
InChI InChI=1S/C21H19NOS/c23-18-9-5-12-22-13-11-16(14-6-1-2-7-15(14)18)20-17-8-3-4-10-19(17)24-21(20)22/h1-4,6-8,10,16H,5,9,11-13H2
InChIKey DRKSVIKIOHEJIP-UHFFFAOYSA-N
Mol Weight 333.45 g/mol
Molecular Formula C21H19NOS
Exact Mass 333.118735 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JZRQpoDSVIi
Name 5,6,7,8,15-Pentahydro-9H,15-ethanobenzo[4,5]thieno[2,3-b]benzo[e]azecin-5-one
Appearance White needles
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 333.118735409 u
Formula C21H19NOS
InChI InChI=1S/C21H19NOS/c23-18-9-5-12-22-13-11-16(14-6-1-2-7-15(14)18)20-17-8-3-4-10-19(17)24-21(20)22/h1-4,6-8,10,16H,5,9,11-13H2
InChIKey DRKSVIKIOHEJIP-UHFFFAOYSA-N
Instrument Name JEOL JMS 600
Ionization Type EI
Literature Reference DOI 10.24820/ark.5550190.p011.986
Molecular Weight 333.449 g/mol
Quality 276
SMILES C1=2SC3=C(C2C=CC=C1)C1C2=C(C(CCCN3CC1)=O)C=CC=C2
SPLASH splash10-0ge9-5900000000-7a5831499f83c66488d7
Source of Spectrum ARK-2023-13-10c (DOI: 10.24820/ark.5550190.p011.986)
Wiley ID 1911268