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(Z)-tert-Butyl(3-methyl-5-oxo-1-(p-tolyl)-1H-pyrazol-4(5H)-ylidene)carbamate
SpectraBase Compound ID IQrDMEAmSL2
InChI InChI=1S/C16H19N3O3/c1-10-6-8-12(9-7-10)19-14(20)13(11(2)18-19)17-15(21)22-16(3,4)5/h6-9H,1-5H3/b17-13-
InChIKey RRQJZYRFARJNIB-LGMDPLHJSA-N
Mol Weight 301.35 g/mol
Molecular Formula C16H19N3O3
Exact Mass 301.142641 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5GfVgdAXKFH
Name (Z)-tert-Butyl(3-methyl-5-oxo-1-(p-tolyl)-1H-pyrazol-4(5H)-ylidene)carbamate
Appearance Red solid
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Exact Mass 301.142641481 u
Formula C16H19N3O3
InChI InChI=1S/C16H19N3O3/c1-10-6-8-12(9-7-10)19-14(20)13(11(2)18-19)17-15(21)22-16(3,4)5/h6-9H,1-5H3/b17-13-
InChIKey RRQJZYRFARJNIB-LGMDPLHJSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI positive ion
Literature Reference DOI 10.1002/anie.201709224
Molecular Weight 301.346 g/mol
Quality 77
SMILES C=1(N2N=C(\C(=N\C(=O)OC(C)(C)C)C2=O)C)C=CC(=CC1)C
SPLASH splash10-0a4i-9011000000-f0fe6ff6b05ea8ba1088
Source of Spectrum ACI-56-SM12-2b (DOI: 10.1002/anie.201709224)
Thin-Layer Chromatography 0.36 (n-pentane/EtOAc, 20:1)
Wiley ID 1896592