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2-methyl-8-phenyl-1,2-dihydrobenzo[b]cyclopenta[d]thiophen-3-one
SpectraBase Compound ID 9lYw9HLXJdJ
InChI InChI=1S/C18H14OS/c1-11-10-14-16-13(12-6-3-2-4-7-12)8-5-9-15(16)20-18(14)17(11)19/h2-9,11H,10H2,1H3
InChIKey JTEDEZULZWWACE-UHFFFAOYSA-N
Mol Weight 278.37 g/mol
Molecular Formula C18H14OS
Exact Mass 278.076536 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4WgyhvDNtNH
Name 2-methyl-8-phenyl-1,2-dihydrobenzo[b]cyclopenta[d]thiophen-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14OS
InChI InChI=1S/C18H14OS/c1-11-10-14-16-13(12-6-3-2-4-7-12)8-5-9-15(16)20-18(14)17(11)19/h2-9,11H,10H2,1H3
InChIKey JTEDEZULZWWACE-UHFFFAOYSA-N
Instrument Name Hewlett Packard Series 6890-5973
Ionization Type EI
Molecular Weight 278.369 g/mol
SMILES c12c(c3c(s2)C(C(C3)C)=O)c(ccc1)-c1ccccc1
SPLASH splash10-01t9-0090000000-18be9231ea2426fa9fe2
Sample Comments dr = 7:3
Source of Spectrum EP1680453B1
Wiley ID 1844936