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1,6-Diazatricyclo[6.2.2.0(2,7)]dodeca-2(7),3,5-triene-4-carbonitrile, 5-(butylthio)-
SpectraBase Compound ID 76wkgaikxSb
InChI InChI=1S/C15H19N3S/c1-2-3-8-19-15-12(10-16)9-13-14(17-15)11-4-6-18(13)7-5-11/h9,11H,2-8H2,1H3
InChIKey IFSYZCGOEWENOJ-UHFFFAOYSA-N
Mol Weight 273.4 g/mol
Molecular Formula C15H19N3S
Exact Mass 273.129969 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JsCyYjvenpO
Name 1,6-Diazatricyclo[6.2.2.0(2,7)]dodeca-2(7),3,5-triene-4-carbonitrile, 5-(butylthio)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H19N3S
InChI InChI=1S/C15H19N3S/c1-2-3-8-19-15-12(10-16)9-13-14(17-15)11-4-6-18(13)7-5-11/h9,11H,2-8H2,1H3
InChIKey IFSYZCGOEWENOJ-UHFFFAOYSA-N
Molecular Weight 273.398 g/mol
SMILES c12c(N3CCC2CC3)cc(c(n1)SCCCC)C#N
SPLASH splash10-00lf-7980000000-bfbe63906b525e508e09
Source of Spectrum IY-1-4512-9
Wiley ID 1653112