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9-(Phenylethynyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione

View entire compound with spectra: 1 NMR, and 1 MS (GC)

9-(Phenylethynyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
SpectraBase Compound ID 1FYjNZ2ZRQ
InChI InChI=1S/C21H18O3/c22-16-8-4-10-18-20(16)15(13-12-14-6-2-1-3-7-14)21-17(23)9-5-11-19(21)24-18/h1-3,6-7,15H,4-5,8-11H2
InChIKey SFULQBFKIRZAFC-UHFFFAOYSA-N
Mol Weight 318.37 g/mol
Molecular Formula C21H18O3
Exact Mass 318.125594 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JyRiPKCbwiI
Name 1H-xanthene-1,8(2H)-dione, 3,4,5,6,7,9-hexahydro-9-(phenylethynyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 318.125594437 u
Formula C21H18O3
InChI InChI=1S/C21H18O3/c22-16-8-4-10-18-20(16)15(13-12-14-6-2-1-3-7-14)21-17(23)9-5-11-19(21)24-18/h1-3,6-7,15H,4-5,8-11H2
InChIKey SFULQBFKIRZAFC-UHFFFAOYSA-N
Molecular Weight 318.372 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15774
Solvent DMSO-d6
Source Vendor ID: NMR/11240739; Lab Info: L-13,; Lab Number: L-13j00056