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1,3-ditert-butyl-4-thioxo-1,3-diazetidine-2-carbonitrile
SpectraBase Compound ID 4wgdZIh6W3c
InChI InChI=1S/C11H19N3S/c1-10(2,3)13-8(7-12)14(9(13)15)11(4,5)6/h8H,1-6H3
InChIKey QGLADTFCKPNBAO-UHFFFAOYSA-N
Mol Weight 225.35 g/mol
Molecular Formula C11H19N3S
Exact Mass 225.129969 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6GDknDqOVCe
Name 1,3-ditert-butyl-4-thioxo-1,3-diazetidine-2-carbonitrile
Appearance Colorless crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 225.129968798 u
Formula C11H19N3S
InChI InChI=1S/C11H19N3S/c1-10(2,3)13-8(7-12)14(9(13)15)11(4,5)6/h8H,1-6H3
InChIKey QGLADTFCKPNBAO-UHFFFAOYSA-N
Instrument Name Finnigan MAT TSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/ejic.202300022
Molecular Weight 225.354 g/mol
Quality 124
SMILES CC(N1C(=S)N(C1C#N)C(C)(C)C)(C)C
SPLASH splash10-0a4i-9500000000-3cd5160c1b315be908dd
Source of Spectrum U2-26-6-5b (DOI: 10.1002/ejic.202300022)
Wiley ID 1910358