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1-(4-Iodobenzoyl)-3,5-dimethyl-4,5-dihydro-1H-pyrazol-5-ol
SpectraBase Compound ID 1aRjLfeiJlt
InChI InChI=1S/C12H13IN2O2/c1-8-7-12(2,17)15(14-8)11(16)9-3-5-10(13)6-4-9/h3-6,17H,7H2,1-2H3
InChIKey SHYTXNYBWFCWHH-UHFFFAOYSA-N
Mol Weight 344.15 g/mol
Molecular Formula C12H13IN2O2
Exact Mass 344.002173 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ac0CJeOkGpz
Name 1-(4-Iodobenzoyl)-3,5-dimethyl-4,5-dihydro-1H-pyrazol-5-ol
Alternate Name(s) (3,5-dimethyl-5-oxidanyl-4H-pyrazol-1-yl)-(4-iodophenyl)methanone (5-hydroxy-3,5-dimethyl-2-pyrazolin-1-yl)-(4-iodophenyl)methanone (5-Hydroxy-3,5-dimethyl-4,5-dihydro-pyrazol-1-yl)-(4-iodo-phenyl)-methanone (5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-(4-iodophenyl)methanone
CAS Registry Number 331868-93-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13IN2O2
InChI InChI=1S/C12H13IN2O2/c1-8-7-12(2,17)15(14-8)11(16)9-3-5-10(13)6-4-9/h3-6,17H,7H2,1-2H3
InChIKey SHYTXNYBWFCWHH-UHFFFAOYSA-N
Molecular Weight 344.152 g/mol
SMILES OC1(N(C(c2ccc(I)cc2)=O)N=C(C)C1)C
SPLASH splash10-001i-3094000000-83ae2614b11faa0a00d7
Wiley ID 1459107