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2-Benzoylamido-3-(1-phenyl-2,5-dioxocyclohexyl)Tetrahedronbenzo[b]thiephone
SpectraBase Compound ID vJtUFHKccq
InChI InChI=1S/C27H27NO3S/c1-18(29)16-17-22(30)24(19-10-4-2-5-11-19)25-21-14-8-9-15-23(21)32-27(25)28-26(31)20-12-6-3-7-13-20/h2-7,10-13,24H,8-9,14-17H2,1H3,(H,28,31)
InChIKey ZCLXACLFAQYIHX-UHFFFAOYSA-N
Mol Weight 445.58 g/mol
Molecular Formula C27H27NO3S
Exact Mass 445.171165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8VUvfTqrofZ
Name 2-Benzoylamido-3-(1-phenyl-2,5-dioxocyclohexyl)Tetrahedronbenzo[b]thiephone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H27NO3S
InChI InChI=1S/C27H27NO3S/c1-18(29)16-17-22(30)24(19-10-4-2-5-11-19)25-21-14-8-9-15-23(21)32-27(25)28-26(31)20-12-6-3-7-13-20/h2-7,10-13,24H,8-9,14-17H2,1H3,(H,28,31)
InChIKey ZCLXACLFAQYIHX-UHFFFAOYSA-N
Molecular Weight 445.577 g/mol
SMILES N(c1c(c2CCCCc2s1)C(C(=O)CCC(=O)C)c1ccccc1)C(=O)c1ccccc1
SPLASH splash10-0a4j-9504100000-89fb4c44b45fbe01a27b
Source of Spectrum HC-47-27-6a
Synonyms N-[3-(2,5-Dioxo-1-phenyl-hexyl)-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl]-benzamide N-(3-(2,5-dioxo-1-phenylhexyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)benzamide
Wiley ID 1733989