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tert-Butyl 3-iodo-1H-pyrazole-1-carboxylate
SpectraBase Compound ID D9A4J47QxVb
InChI InChI=1S/C8H11IN2O2/c1-8(2,3)13-7(12)11-5-4-6(9)10-11/h4-5H,1-3H3
InChIKey RKFMLIZYBJXJEB-UHFFFAOYSA-N
Mol Weight 294.09 g/mol
Molecular Formula C8H11IN2O2
Exact Mass 293.986523 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8v0ltAp7aWO
Name tert-Butyl 3-iodo-1H-pyrazole-1-carboxylate
Appearance White crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H11IN2O2
InChI InChI=1S/C8H11IN2O2/c1-8(2,3)13-7(12)11-5-4-6(9)10-11/h4-5H,1-3H3
InChIKey RKFMLIZYBJXJEB-UHFFFAOYSA-N
Instrument Name Shimadzu QP2010
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.p008.842
Molecular Weight 294.092 g/mol
Reported Formula C8H11IN2O2
SMILES C(OC(C)(C)C)(=O)[n]1nc(cc1)I
SPLASH splash10-0006-2900000000-41a00ee78d8df92a2a36
Source of Spectrum ARK-2014-60-2b
Wiley ID 1843347