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9-{4-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
SpectraBase Compound ID B7GWzrEKsBq
InChI InChI=1S/C30H30ClFO4/c1-29(2)12-22(33)27-24(14-29)36-25-15-30(3,4)13-23(34)28(25)26(27)17-8-10-18(11-9-17)35-16-19-20(31)6-5-7-21(19)32/h5-11,26H,12-16H2,1-4H3
InChIKey CQIMLHPCDBQSAP-UHFFFAOYSA-N
Mol Weight 509.02 g/mol
Molecular Formula C30H30ClFO4
Exact Mass 508.181665 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4XZ9XeN6ZVk
Name 9-{4-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C30H30ClFO4/c1-29(2)12-22(33)27-24(14-29)36-25-15-30(3,4)13-23(34)28(25)26(27)17-8-10-18(11-9-17)35-16-19-20(31)6-5-7-21(19)32/h5-11,26H,12-16H2,1-4H3
InChIKey CQIMLHPCDBQSAP-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_1397
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: C96207; Labnumber: PETROV-1051; SBI_ID: SBI-001399
Temperature 318 °C