For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
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)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2iAzo72PgQY
Name 2-fluoro QMPSB
Catalog Number 27325
Lot Number 565247
CAS Registry Number 2707165-48-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Molecular Weight 446.469 g/mol
Purity >=98%
Quality 981
SMILES C1=C(C(=CC(=C1)C(OC1=C2C(=CC=C1)C=CC=N2)=O)S(N1CCC(CC1)(F)F)(=O)=O)C
SPLASH splash10-0uxr-6946000000-3deb4479eeccb0c663f7
Source of Spectrum CAY-2024-2199-0
Synonyms QMDFPSB SGT-13 quinolin-8-yl 3-[(4,4-difluoropiperidin-1-yl)sulfonyl]-4-methylbenzoate
Wiley ID 1890392