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8-Methyl-3-(thiophen-2-yl)-2,3-dihydrocyclopenta[c]chromen-1(4H)-one
SpectraBase Compound ID Lt15E3C5Zh4
InChI InChI=1S/C17H14O2S/c1-10-4-5-15-12(7-10)17-13(9-19-15)11(8-14(17)18)16-3-2-6-20-16/h2-7,11H,8-9H2,1H3
InChIKey INMUCRXLBXMFTQ-UHFFFAOYSA-N
Mol Weight 282.36 g/mol
Molecular Formula C17H14O2S
Exact Mass 282.071451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1JK6cfRVxnw
Name 8-Methyl-3-(thiophen-2-yl)-2,3-dihydrocyclopenta[c]chromen-1(4H)-one
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 282.071450863 u
Formula C17H14O2S
InChI InChI=1S/C17H14O2S/c1-10-4-5-15-12(7-10)17-13(9-19-15)11(8-14(17)18)16-3-2-6-20-16/h2-7,11H,8-9H2,1H3
InChIKey INMUCRXLBXMFTQ-UHFFFAOYSA-N
Instrument Name Agilent 6890N/5973
Ionization Type EI
Literature Reference DOI 10.1002/anie.202207406
Quality 74
Reported Formula C17H14O2S
SMILES C12=C(C3=C(CO2)C(CC3=O)C=2SC=CC2)C=C(C=C1)C
SPLASH splash10-001l-0980000000-fd5743778e027ea7105f
Source of Spectrum ACI-61-SM26-2s (DOI: 10.1002/anie.202207406)
Thin-Layer Chromatography 0.33 (hexane/EtOAc, 5:1)
Wiley ID 1897932