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

*Links on SpectraBase are not permalinks.
(2RS,3SR,6SR)-3-Acetoxy-6-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2-trifluoromethyl-3,6-dihydro-2H-thiopyran
SpectraBase Compound ID GapaswBxJa1
InChI InChI=1S/C12H11F3N2O4S/c1-6(18)21-7-2-3-9(22-10(7)12(13,14)15)17-5-4-8(19)16-11(17)20/h2-5,7,9-10H,1H3,(H,16,19,20)/t7-,9-,10+/m0/s1
InChIKey PDRCUEKRLMCEPC-UJNFCWOMSA-N
Mol Weight 336.29 g/mol
Molecular Formula C12H11F3N2O4S
Exact Mass 336.039163 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 Et8ZXZIlV0x
Name (2RS,3SR,6SR)-3-Acetoxy-6-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2-trifluoromethyl-3,6-dihydro-2H-thiopyran
Appearance Colorless crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 336.039162501 u
Formula C12H11F3N2O4S
InChI InChI=1S/C12H11F3N2O4S/c1-6(18)21-7-2-3-9(22-10(7)12(13,14)15)17-5-4-8(19)16-11(17)20/h2-5,7,9-10H,1H3,(H,16,19,20)/t7-,9-,10+/m0/s1
InChIKey PDRCUEKRLMCEPC-UJNFCWOMSA-N
Instrument Name Hewlett-Packard 5890/5972
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800643
Molecular Weight 336.285 g/mol
Quality 162
SMILES N1C(C=CN(C1=O)[C@@]1(C=C[C@@]([C@@](S1)(C(F)(F)F)[H])(OC(C)=O)[H])[H])=O
SPLASH splash10-0296-6950000000-4ecf94cb81d90d57c186
Source of Spectrum K1-2018-5581-12a (DOI: 10.1002/ejoc.201800643)
Wiley ID 1894339