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4,4,9,9-Tetrakis(4-fluoroophenyl)-11-(methylimino)-310-dioxatricyclo[6.3.0.0(1,5)]undecan-2-one
SpectraBase Compound ID ChH1LDclcOH
InChI InChI=1S/C34H25F4NO3/c1-39-30-32-28(33(41-30,20-2-10-24(35)11-3-20)21-4-12-25(36)13-5-21)18-19-29(32)34(42-31(32)40,22-6-14-26(37)15-7-22)23-8-16-27(38)17-9-23/h2-17,28-29H,18-19H2,1H3/b39-30-/t28?,29-,32+/m1/s1
InChIKey NADOLTNRIMHLTL-MSQKBZSTSA-N
Mol Weight 571.6 g/mol
Molecular Formula C34H25F4NO3
Exact Mass 571.177056 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EXVPxW1Qb6x
Name 4,4,9,9-Tetrakis(4-fluoroophenyl)-11-(methylimino)-310-dioxatricyclo[6.3.0.0(1,5)]undecan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H25F4NO3
InChI InChI=1S/C34H25F4NO3/c1-39-30-32-28(33(41-30,20-2-10-24(35)11-3-20)21-4-12-25(36)13-5-21)18-19-29(32)34(42-31(32)40,22-6-14-26(37)15-7-22)23-8-16-27(38)17-9-23/h2-17,28-29H,18-19H2,1H3/b39-30-/t28?,29-,32+/m1/s1
InChIKey NADOLTNRIMHLTL-MSQKBZSTSA-N
Molecular Weight 571.572 g/mol
SMILES [C@]123\C(OC(C3CC[C@]2(C(c2ccc(cc2)F)(c2ccc(cc2)F)OC1=O)[H])(c1ccc(cc1)F)c1ccc(cc1)F)=N\C
SPLASH splash10-00c1-0921420000-0220ccabb287733007e0
Source of Spectrum SO-0-894-6
Wiley ID 873782