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1-Isobutyl-4-iodo-pyrazole-d2
SpectraBase Compound ID 2PKvi7dX4GC
InChI InChI=1S/C7H11IN2/c1-6(2)4-10-5-7(8)3-9-10/h3,5-6H,4H2,1-2H3/i3D,5D
InChIKey PTARWFPVOYNYPY-XBTCESIDSA-N
Mol Weight 252.1 g/mol
Molecular Formula C7H9D2IN2
Exact Mass 252.009247 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9D3b20tDida
Name 1-Isobutyl-4-iodo-pyrazole-d2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 252.009246854 u
Formula C7H9D2IN2
InChI InChI=1S/C7H11IN2/c1-6(2)4-10-5-7(8)3-9-10/h3,5-6H,4H2,1-2H3/i3D,5D
InChIKey PTARWFPVOYNYPY-XBTCESIDSA-N
Instrument Name AMD 402
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202200204
Molecular Weight 252.096 g/mol
Quality 889
SMILES C1(=NN(C(=C1I)[D])CC(C)C)[D]
SPLASH splash10-0pba-2590000000-676fde7dd4521564f260
Source of Spectrum K1-2022-SM108-42-d2 (DOI: 10.1002/ejoc.202200204)
Wiley ID 1910387