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5-Dichloromethyl-1-(2-hydroxyethyl)-3-(4-nitrophenyl)-2-pyrazoline
SpectraBase Compound ID LFj45Q0ihp8
InChI InChI=1S/C12H13Cl2N3O3/c13-12(14)11-7-10(15-16(11)5-6-18)8-1-3-9(4-2-8)17(19)20/h1-4,11-12,18H,5-7H2
InChIKey YHTLAOJVQDYQDZ-UHFFFAOYSA-N
Mol Weight 318.16 g/mol
Molecular Formula C12H13Cl2N3O3
Exact Mass 317.033397 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FWyD7wkmAHv
Name 5-Dichloromethyl-1-(2-hydroxyethyl)-3-(4-nitrophenyl)-2-pyrazoline
Appearance Yellow powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 317.033396688 u
Formula C12H13Cl2N3O3
InChI InChI=1S/C12H13Cl2N3O3/c13-12(14)11-7-10(15-16(11)5-6-18)8-1-3-9(4-2-8)17(19)20/h1-4,11-12,18H,5-7H2
InChIKey YHTLAOJVQDYQDZ-UHFFFAOYSA-N
Instrument Name Thermoquest trace
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4594
Molecular Weight 318.160 g/mol
Quality 337
SMILES OCCN1N=C(CC1C(Cl)Cl)C1=CC=C(C=C1)[N+](=O)[O-]
SPLASH splash10-001r-0491000000-92db5409c622870236a5
Source of Spectrum Y-60-412-7f (DOI: 10.1002/jhet.4594)
Wiley ID 1892551