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5-tert-Butyl-2,4-dihydro-2-methyl-4-[[2-[(3-methyl-2-butenyl)oxy]phenyl]methylene]-3H-pyrazol-3-one
SpectraBase Compound ID 1cJsSTNpyTr
InChI InChI=1S/C20H26N2O2/c1-14(2)11-12-24-17-10-8-7-9-15(17)13-16-18(20(3,4)5)21-22(6)19(16)23/h7-11,13H,12H2,1-6H3/b16-13-
InChIKey XKHBJIRERZNJJA-SSZFMOIBSA-N
Mol Weight 326.44 g/mol
Molecular Formula C20H26N2O2
Exact Mass 326.199428 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4bm1zkWuVU
Name 5-tert-Butyl-2,4-dihydro-2-methyl-4-[[2-[(3-methyl-2-butenyl)oxy]phenyl]methylene]-3H-pyrazol-3-one
CAS Registry Number 112296-79-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26N2O2
InChI InChI=1S/C20H26N2O2/c1-14(2)11-12-24-17-10-8-7-9-15(17)13-16-18(20(3,4)5)21-22(6)19(16)23/h7-11,13H,12H2,1-6H3/b16-13-
InChIKey XKHBJIRERZNJJA-SSZFMOIBSA-N
Molecular Weight 326.440 g/mol
SMILES C=1(\C(C(N(N1)C)=O)=C\c1c(OCC=C(C)C)cccc1)C(C)(C)C
SPLASH splash10-0a4i-1091000000-5eb24644d762f1034dda
Source of Spectrum J-53-817-9
Synonyms (4Z)-5-tert-butyl-2-methyl-4-{2-[(3-methyl-2-butenyl)oxy]benzylidene}-2,4-dihydro-3H-pyrazol-3-one
Wiley ID 1325030