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1,3-Diphenyl-5,6-dihydropentalen-2(4H)-one
SpectraBase Compound ID HlKVsjG4Vhy
InChI InChI=1S/C20H16O/c21-20-18(14-8-3-1-4-9-14)16-12-7-13-17(16)19(20)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2
InChIKey QDLUNCYJVMAKNQ-UHFFFAOYSA-N
Mol Weight 272.35 g/mol
Molecular Formula C20H16O
Exact Mass 272.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CKjliuBwvfV
Name 1,3-Diphenyl-5,6-dihydropentalen-2(4H)-one
Appearance Red solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16O
InChI InChI=1S/C20H16O/c21-20-18(14-8-3-1-4-9-14)16-12-7-13-17(16)19(20)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2
InChIKey QDLUNCYJVMAKNQ-UHFFFAOYSA-N
Instrument Name JEOL JMS-700 Mstation
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.1c01631
Molecular Weight 272.347 g/mol
Reported Formula C20H16O
SMILES c1(ccccc1)C=1C(C(=C2CCCC12)c1ccccc1)=O
SPLASH splash10-00xr-0290000000-58ac5ce57fd97061912f
Source of Spectrum A1-23-SM25-2e
Thin-Layer Chromatography Rf = f 0.20 (hexane/AcOEt, 100:1)
Wiley ID 1868029