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(Z)-tert-Butyl(5-oxo-1,3-diphenyl-1H-pyrazol-4(5H)-ylidene)carbamate
SpectraBase Compound ID DfTYMZfS1jr
InChI InChI=1S/C20H19N3O3/c1-20(2,3)26-19(25)21-17-16(14-10-6-4-7-11-14)22-23(18(17)24)15-12-8-5-9-13-15/h4-13H,1-3H3/b21-17-
InChIKey AIWIZVWILKFHBR-FXBPSFAMSA-N
Mol Weight 349.39 g/mol
Molecular Formula C20H19N3O3
Exact Mass 349.142641 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IhHtg6wRPRs
Name (Z)-tert-Butyl(5-oxo-1,3-diphenyl-1H-pyrazol-4(5H)-ylidene)carbamate
Appearance Red solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 349.142641481 u
Formula C20H19N3O3
InChI InChI=1S/C20H19N3O3/c1-20(2,3)26-19(25)21-17-16(14-10-6-4-7-11-14)22-23(18(17)24)15-12-8-5-9-13-15/h4-13H,1-3H3/b21-17-
InChIKey AIWIZVWILKFHBR-FXBPSFAMSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI positive ion
Literature Reference DOI 10.1002/anie.201709224
Molecular Weight 349.390 g/mol
Quality 86
SMILES C=1(N2N=C(\C(=N\C(=O)OC(C)(C)C)C2=O)C2=CC=CC=C2)C=CC=CC1
SPLASH splash10-0a4i-9001000000-1558616c0789b4b5244e
Source of Spectrum ACI-56-SM14-2f (DOI: 10.1002/anie.201709224)
Thin-Layer Chromatography 0.40 (n-pentane/EtOAc, 20:1)
Wiley ID 1896595