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acetoxy-[2-[(phenylcarbamothioylamino)carbamoyl]phenoxy]zinc
SpectraBase Compound ID IqNglNXpoeS
InChI InChI=1S/C14H13N3O2S.C2H4O2.Zn/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 SXIQZZVCFNWQBY-UHFFFAOYSA-L
Mol Weight 410.76 g/mol
Molecular Formula C16H15N3O4SZn
Exact Mass 409.007469 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JSQNdLTBAtn
Name acetoxy-[2-[(phenylcarbamothioylamino)carbamoyl]phenoxy]zinc
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 409.007469145 u
Formula C16H15N3O4SZn
InChI InChI=1S/C14H13N3O2S.C2H4O2.Zn/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 SXIQZZVCFNWQBY-UHFFFAOYSA-L
Ionization Type EI
Literature Reference DOI 10.1016/j.rechem.2023.100776
Molecular Weight 410.755 g/mol
Quality 986
SMILES N(C(C=1C=CC=CC1O[Zn]OC(C)=O)=O)NC(NC1=CC=CC=C1)=S
SPLASH splash10-00u6-6932000000-426ca9ada4d143d37f0e
Source of Spectrum REC-5-SM7-Figure S7 (DOI: 10.1016/j.rechem.2023.100776)
Wiley ID 1911859