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5,6,13-Trihydro-7H-7,13-ethanobenzo[4,5]thieno[2,3-b]benzo[e]azocin-5-one
SpectraBase Compound ID KGjS8XRETus
InChI InChI=1S/C19H15NOS/c21-16-11-20-10-9-14(12-5-1-2-6-13(12)16)18-15-7-3-4-8-17(15)22-19(18)20/h1-8,14H,9-11H2
InChIKey XGAAYTFQWZSBRK-UHFFFAOYSA-N
Mol Weight 305.4 g/mol
Molecular Formula C19H15NOS
Exact Mass 305.087435 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EJfVXPdLwG1
Name 5,6,13-Trihydro-7H-7,13-ethanobenzo[4,5]thieno[2,3-b]benzo[e]azocin-5-one
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H15NOS
InChI InChI=1S/C19H15NOS/c21-16-11-20-10-9-14(12-5-1-2-6-13(12)16)18-15-7-3-4-8-17(15)22-19(18)20/h1-8,14H,9-11H2
InChIKey XGAAYTFQWZSBRK-UHFFFAOYSA-N
Instrument Name JEOL JMS 600
Ionization Type EI
Literature Reference DOI 10.24820/ark.5550190.p011.986
Molecular Weight 305.395 g/mol
Quality 285
SMILES C1=2SC3=C(C2C=CC=C1)C1C2=C(C(CN3CC1)=O)C=CC=C2
SPLASH splash10-0a4i-0509000000-ca037d81180e458e6636
Source of Spectrum ARK-2023-13-10a (DOI: 10.24820/ark.5550190.p011.986)
Wiley ID 1911266