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SGT-13
SpectraBase Compound ID DA4V3QSyes2
InChI InChI=1S/C22H20F2N2O4S/c1-15-7-8-17(14-19(15)31(28,29)26-12-9-22(23,24)10-13-26)21(27)30-18-6-2-4-16-5-3-11-25-20(16)18/h2-8,11,14H,9-10,12-13H2,1H3
InChIKey JOSWCKYCXJMLNM-UHFFFAOYSA-N
Mol Weight 446.47 g/mol
Molecular Formula C22H20F2N2O4S
Exact Mass 446.111185 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5YciAWC8YhE
Name SGT-13
Classification Sulfonylbenzoate cannabinoid designer drug
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 446.111184628 u
Formula C22H20F2N2O4S
InChI InChI=1S/C22H20F2N2O4S/c1-15-7-8-17(14-19(15)31(28,29)26-12-9-22(23,24)10-13-26)21(27)30-18-6-2-4-16-5-3-11-25-20(16)18/h2-8,11,14H,9-10,12-13H2,1H3
InChIKey JOSWCKYCXJMLNM-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 446.469 g/mol
Nominal Mass 446 u
Quality 997
Retention Index 3328
SMILES C1(S(N2CCC(CC2)(F)F)(=O)=O)=C(C=CC(=C1)C(OC1=C2C(=CC=C1)C=CC=N2)=O)C
SPLASH splash10-0wmu-7944000000-039549d455c317cf30f9
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms quinolin-8-yl 3-((4,4-difluoropiperidin-1-yl)sulfonyl)-4-methylbenzoate
Technique GC/MS
Wiley ID DD2024_025224