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1-(p-Chlorobenzoyl)-4,5-dihydro-3,4,4-trimethyl-5-(acetoxymethylene)-1H-pyrazole
SpectraBase Compound ID 5iRJ9jjlD2q
InChI InChI=1S/C16H17ClN2O3/c1-10-16(3,4)14(9-22-11(2)20)19(18-10)15(21)12-5-7-13(17)8-6-12/h5-9H,1-4H3/b14-9+
InChIKey IHVFIWRKDYIXKF-NTEUORMPSA-N
Mol Weight 320.78 g/mol
Molecular Formula C16H17ClN2O3
Exact Mass 320.09277 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID kzAHEPgYjI
Name 1-(p-Chlorobenzoyl)-4,5-dihydro-3,4,4-trimethyl-5-(acetoxymethylene)-1H-pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17ClN2O3
InChI InChI=1S/C16H17ClN2O3/c1-10-16(3,4)14(9-22-11(2)20)19(18-10)15(21)12-5-7-13(17)8-6-12/h5-9H,1-4H3/b14-9+
InChIKey IHVFIWRKDYIXKF-NTEUORMPSA-N
Molecular Weight 320.776 g/mol
SMILES C1(\C(N(N=C1C)C(c1ccc(cc1)Cl)=O)=C/OC(=O)C)(C)C
SPLASH splash10-0079-0925000000-f59b6bba1e5486a317f9
Source of Spectrum Y-28-51-7
Synonyms 4,5-Dihydro-3,4,4-trimethyl-5-(acetoxymethylene)-1-[(4'-chlorophenyl)carbonyl]-1H-pyrazole (E)-[2-(4-chlorobenzoyl)-4,4,5-trimethyl-2,4-dihydro-3H-pyrazol-3-ylidene]methyl acetate
Wiley ID 1319932