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

*Links on SpectraBase are not permalinks.
Acetic acid, trifluoro-, [2,3,3a,9a-tetrahydro-6-oxo-3-[(trifluoroacetyl)oxy]-6H-furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-2-yl]methyl ester, [2R-(2.alpha.,3.beta.,3a.beta.,9a.beta.)]-
SpectraBase Compound ID 9BIUlVgREpB
InChI InChI=1S/C13H8F6N2O7/c14-12(15,16)9(23)25-3-4-6(27-10(24)13(17,18)19)7-8(26-4)21-2-1-5(22)20-11(21)28-7/h1-2,4,6-8H,3H2/t4-,6-,7+,8-/m1/s1
InChIKey ROCUABAGGVSXCO-CCXZUQQUSA-N
Mol Weight 418.2 g/mol
Molecular Formula C13H8F6N2O7
Exact Mass 418.02357 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 B2cYMrqzakK
Name Acetic acid, trifluoro-, [2,3,3a,9a-tetrahydro-6-oxo-3-[(trifluoroacetyl)oxy]-6H-furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-2-yl]methyl ester, [2R-(2.alpha.,3.beta.,3a.beta.,9a.beta.)]-
CAS Registry Number 39687-13-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H8F6N2O7
InChI InChI=1S/C13H8F6N2O7/c14-12(15,16)9(23)25-3-4-6(27-10(24)13(17,18)19)7-8(26-4)21-2-1-5(22)20-11(21)28-7/h1-2,4,6-8H,3H2/t4-,6-,7+,8-/m1/s1
InChIKey ROCUABAGGVSXCO-CCXZUQQUSA-N
Molecular Weight 418.204 g/mol
SMILES C=12N([C@@]3(O[C@](COC(C(F)(F)F)=O)([C@]([C@@]3(O2)[H])(OC(C(F)(F)F)=O)[H])[H])[H])C=CC(N1)=O
SPLASH splash10-014j-9300000000-b6cef1c181f0c83c7778
Source of Spectrum W5-0-0-0
Wiley ID 1376968