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3,3-dimethyl-9-[2-oxo-2-(2-thienyl)ethyl]-2,3,4,9-tetrahydro-1H-xanthen-1-one
SpectraBase Compound ID AWrbN36HibC
InChI InChI=1S/C21H20O3S/c1-21(2)11-16(23)20-14(10-15(22)19-8-5-9-25-19)13-6-3-4-7-17(13)24-18(20)12-21/h3-9,14H,10-12H2,1-2H3
InChIKey VEYPORIKFFGXGC-UHFFFAOYSA-N
Mol Weight 352.45 g/mol
Molecular Formula C21H20O3S
Exact Mass 352.113316 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ALAzXUvojmR
Name 1H-xanthen-1-one, 2,3,4,9-tetrahydro-3,3-dimethyl-9-[2-oxo-2-(2-thienyl)ethyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 352.113315675 u
Formula C21H20O3S
InChI InChI=1S/C21H20O3S/c1-21(2)11-16(23)20-14(10-15(22)19-8-5-9-25-19)13-6-3-4-7-17(13)24-18(20)12-21/h3-9,14H,10-12H2,1-2H3
InChIKey VEYPORIKFFGXGC-UHFFFAOYSA-N
Molecular Weight 352.448 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_5589
Solvent DMSO-d6
Source Vendor ID: NMR/9226906; Lab Info: PLD; Lab Number: PLD-0000191