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4-Pyrazoline-5-carboxylic acid, 1-benzoyl-3-(1-chloromethyl-1-cyclopropyl)-
SpectraBase Compound ID BDTbeJX6SrZ
InChI InChI=1S/C17H19ClN2O3/c1-16(15(22)23-2)10-13(17(11-18)8-9-17)19-20(16)14(21)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3
InChIKey AJGFODZYBTXBHD-UHFFFAOYSA-N
Mol Weight 334.8 g/mol
Molecular Formula C17H19ClN2O3
Exact Mass 334.10842 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BetkXTK1PVk
Name 4-Pyrazoline-5-carboxylic acid, 1-benzoyl-3-(1-chloromethyl-1-cyclopropyl)-
Alternate Name(s) 2-Benzoyl-5-[1-(chloromethyl)cyclopropyl]-3-methyl-2-pyrazoline-3-carboxylic acid methyl ester 2-Benzoyl-5-[1-(chloromethyl)cyclopropyl]-3-methyl-4H-pyrazole-3-carboxylic acid methyl ester Methyl 1-benzoyl-3-[1-(chloromethyl)cyclopropyl]-5-methyl-4,5-dihydro-1H-pyrazole-5-carboxylate Methyl 2-benzoyl-5-[1-(chloromethyl)cyclopropyl]-3-methyl-4H-pyrazole-3-carboxylate Methyl 5-[1-(chloromethyl)cyclopropyl]-3-methyl-2-(phenylcarbonyl)-4H-pyrazole-3-carboxylate
CAS Registry Number 199783-49-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19ClN2O3
InChI InChI=1S/C17H19ClN2O3/c1-16(15(22)23-2)10-13(17(11-18)8-9-17)19-20(16)14(21)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3
InChIKey AJGFODZYBTXBHD-UHFFFAOYSA-N
Molecular Weight 334.803 g/mol
SMILES C(C1(CC1)C=1CC(N(N1)C(c1ccccc1)=O)(C(OC)=O)C)Cl
SPLASH splash10-0a6r-7920000000-182a4a759516e5a354c9
Source of Spectrum AD-0-2532-0
Wiley ID 1421520