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N-acylated indoline fused 1,2,3-triazolothiadiazepine-1,1-dioxide
SpectraBase Compound ID IbquOWay6Nb
InChI InChI=1S/C14H15N5O3S/c1-9(20)18-4-3-10-5-13-14(6-12(10)18)23(21,22)17(2)8-11-7-15-16-19(11)13/h5-7H,3-4,8H2,1-2H3
InChIKey QGFZHMCERLVEHZ-UHFFFAOYSA-N
Mol Weight 333.37 g/mol
Molecular Formula C14H15N5O3S
Exact Mass 333.089561 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6FEZWRwKqIC
Name N-acylated indoline fused 1,2,3-triazolothiadiazepine-1,1-dioxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15N5O3S
InChI InChI=1S/C14H15N5O3S/c1-9(20)18-4-3-10-5-13-14(6-12(10)18)23(21,22)17(2)8-11-7-15-16-19(11)13/h5-7H,3-4,8H2,1-2H3
InChIKey QGFZHMCERLVEHZ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201000465
Molecular Weight 333.366 g/mol
SMILES c12S(=O)(=O)N(Cc3[n](-c2cc2CCN(c2c1)C(=O)C)nnc3)C
SPLASH splash10-03fr-9002000000-7752afb908d99850b596
Source of Spectrum ASC-353-41/SM16-16
Synonyms 1-(5-Methyl-6,6-dioxido-9,10-dihydro-4H-[1,2,3]triazolo[5',1':4,5][1,2,5]thiadiazepino[6,7-f]indol-8(5H)-yl)ethanone
Wiley ID 1764564