acetoxy-[2-[(phenylcarbamothioylamino)carbamoyl]phenoxy]nickel

SpectraBase Compound ID	8IKfCeZ0N1J
InChI	InChI=1S/C14H13N3O2S.C2H4O2.Ni/c18-12-9-5-4-8-11(12)13(19)16-17-14(20)15-10-6-2-1-3-7-10;1-2(3)4;/h1-9,18H,(H,16,19)(H2,15,17,20);1H3,(H,3,4);/q;;+2/p-2
InChIKey	QLVVRGNEYCXAEB-UHFFFAOYSA-L Google Search
Mol Weight	404.07 g/mol
Molecular Formula	C16H15N3NiO4S
Exact Mass	403.013669 g/mol

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SpectraBase Spectrum ID	7LJOWtxvrhj
Name	acetoxy-[2-[(phenylcarbamothioylamino)carbamoyl]phenoxy]nickel
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	403.013669145 u
Formula	C16H15N3NiO4S
InChI	InChI=1S/C14H13N3O2S.C2H4O2.Ni/c18-12-9-5-4-8-11(12)13(19)16-17-14(20)15-10-6-2-1-3-7-10;1-2(3)4;/h1-9,18H,(H,16,19)(H2,15,17,20);1H3,(H,3,4);/q;;+2/p-2
InChIKey	QLVVRGNEYCXAEB-UHFFFAOYSA-L
Ionization Type	EI
Literature Reference DOI	10.1016/j.rechem.2023.100776
Molecular Weight	404.066 g/mol
Quality	405
SMILES	N(C(C=1C=CC=CC1O[Ni]OC(C)=O)=O)NC(NC1=CC=CC=C1)=S
SPLASH	splash10-0a4r-5943000000-57292342dc7b47bd6871
Source of Spectrum	REC-5-SM6-Figure S6 (DOI: 10.1016/j.rechem.2023.100776)
Wiley ID	1911858