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N-[2,4-Dichloro-6-[(1,3,5-tri-tert-butyl-4-oxo-2,5-cyclo-hexadien-1-yl)oxy]phenyl]-4-nitrobenzamide
SpectraBase Compound ID HMBKgZozHNY
InChI InChI=1S/C31H36Cl2N2O5/c1-28(2,3)21-16-31(30(7,8)9,17-22(26(21)36)29(4,5)6)40-24-15-19(32)14-23(33)25(24)34-27(37)18-10-12-20(13-11-18)35(38)39/h10-17H,1-9H3,(H,34,37)
InChIKey NIQZZLHBMSCOHK-UHFFFAOYSA-N
Mol Weight 587.5 g/mol
Molecular Formula C31H36Cl2N2O5
Exact Mass 586.200128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BeX6YhDGNU5
Name N-[2,4-Dichloro-6-[(1,3,5-tri-tert-butyl-4-oxo-2,5-cyclo-hexadien-1-yl)oxy]phenyl]-4-nitrobenzamide
CAS Registry Number 127085-58-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H36Cl2N2O5
InChI InChI=1S/C31H36Cl2N2O5/c1-28(2,3)21-16-31(30(7,8)9,17-22(26(21)36)29(4,5)6)40-24-15-19(32)14-23(33)25(24)34-27(37)18-10-12-20(13-11-18)35(38)39/h10-17H,1-9H3,(H,34,37)
InChIKey NIQZZLHBMSCOHK-UHFFFAOYSA-N
Molecular Weight 587.544 g/mol
SMILES N(c1c(OC2(C=C(C(C)(C)C)C(C(=C2)C(C)(C)C)=O)C(C)(C)C)cc(cc1Cl)Cl)C(c1ccc(N(=O)=O)cc1)=O
SPLASH splash10-0zfu-9400000000-2350d20e4642c391d7a2
Source of Spectrum J-55-4043-23
Wiley ID 1409031