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1,3-Dimethyl-1-benzyl-5-phenyl-2-pyrazolinium iodide
SpectraBase Compound ID DOObdFO96Ml
InChI InChI=1S/C18H21N2.HI/c1-15-13-18(17-11-7-4-8-12-17)20(2,19-15)14-16-9-5-3-6-10-16;/h3-12,18H,13-14H2,1-2H3;1H/q+1;/p-1
InChIKey ASGHLTHFNQIHQX-UHFFFAOYSA-M
Mol Weight 392.28 g/mol
Molecular Formula C18H21IN2
Exact Mass 392.074944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6iox5o3kQbE
Name 1,3-Dimethyl-1-benzyl-5-phenyl-2-pyrazolinium iodide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21IN2
InChI InChI=1S/C18H21N2.HI/c1-15-13-18(17-11-7-4-8-12-17)20(2,19-15)14-16-9-5-3-6-10-16;/h3-12,18H,13-14H2,1-2H3;1H/q+1;/p-1
InChIKey ASGHLTHFNQIHQX-UHFFFAOYSA-M
Molecular Weight 392.284 g/mol
SMILES [I-].C1(=N[N+](C(C1)c1ccccc1)(Cc1ccccc1)C)C
SPLASH splash10-0006-9300000000-f876cbf2c45a5d4dbc5f
Source of Spectrum O-10-931-2
Synonyms 1-Benzyl-1,3-dimethyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-ium iodide
Wiley ID 1365651