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Benzamide, N-[2-hydroxy-1,3,3-trimethyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethenyl]cyclohexyl]-4-nitro-
SpectraBase Compound ID 3OwbWtR2UMO
InChI InChI=1S/C22H30N2O6/c1-19(2)10-5-11-20(3,22(19,26)13-12-21(4)29-14-15-30-21)23-18(25)16-6-8-17(9-7-16)24(27)28/h6-9,12-13,26H,5,10-11,14-15H2,1-4H3,(H,23,25)/b13-12+
InChIKey INGRJHHCAJXOOF-OUKQBFOZSA-N
Mol Weight 418.49 g/mol
Molecular Formula C22H30N2O6
Exact Mass 418.210387 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gaqt125j65Y
Name Benzamide, N-[2-hydroxy-1,3,3-trimethyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethenyl]cyclohexyl]-4-nitro-
CAS Registry Number 84114-06-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30N2O6
InChI InChI=1S/C22H30N2O6/c1-19(2)10-5-11-20(3,22(19,26)13-12-21(4)29-14-15-30-21)23-18(25)16-6-8-17(9-7-16)24(27)28/h6-9,12-13,26H,5,10-11,14-15H2,1-4H3,(H,23,25)/b13-12+
InChIKey INGRJHHCAJXOOF-OUKQBFOZSA-N
Molecular Weight 418.490 g/mol
SMILES N(C1(C(C(CCC1)(C)C)(\C=C\C1(OCCO1)C)O)C)C(c1ccc(N(=O)=O)cc1)=O
SPLASH splash10-0v4u-4910000000-4e7a588da627cd26113d
Source of Spectrum H-65-1625-0
Synonyms (3E)-4-(1-hydroxy-2,2,6-trimethyl-6-(p-nitrobenzamido)cyclohexyl)-3-buten-2-on-ethylenacetal N-{2-hydroxy-1,3,3-trimethyl-2-[(E)-2-(2-methyl-1,3-dioxolan-2-yl)ethenyl]cyclohexyl}-4-nitrobenzamide
Wiley ID 1377163