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

*Links on SpectraBase are not permalinks.

benzyl (1RS,2RS,4SR)- and (1RS,2SR,4SR)-1-hydroxy-2-trifluoroacetylaminobicyclo[2.2.2]oct-5-ene-2-carboxylate (1:4 mixture)

View entire compound with spectra: 1 MS (GC)

benzyl (1RS,2RS,4SR)- and (1RS,2SR,4SR)-1-hydroxy-2-trifluoroacetylaminobicyclo[2.2.2]oct-5-ene-2-carboxylate (1:4 mixture)
SpectraBase Compound ID 3Dkk695iBld
InChI InChI=1S/C18H18F3NO4/c19-18(20,21)14(23)22-17(10-12-6-8-16(17,25)9-7-12)15(24)26-11-13-4-2-1-3-5-13/h1-6,8,12,25H,7,9-11H2,(H,22,23)/t12-,16-,17+/m0/s1
InChIKey LNCCXBJMFCGPMX-AFAVFJNCSA-N
Mol Weight 369.34 g/mol
Molecular Formula C18H18F3NO4
Exact Mass 369.118793 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 LMPtLmOM0J0
Name benzyl (1RS,2RS,4SR)- and (1RS,2SR,4SR)-1-hydroxy-2-trifluoroacetylaminobicyclo[2.2.2]oct-5-ene-2-carboxylate (1:4 mixture)
Alternate Name(s) benzyl 1-hydroxy-2-[(trifluoroacetyl)amino]bicyclo[2.2.2]oct-5-ene-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18F3NO4
InChI InChI=1S/C18H18F3NO4/c19-18(20,21)14(23)22-17(10-12-6-8-16(17,25)9-7-12)15(24)26-11-13-4-2-1-3-5-13/h1-6,8,12,25H,7,9-11H2,(H,22,23)/t12-,16-,17+/m0/s1
InChIKey LNCCXBJMFCGPMX-AFAVFJNCSA-N
Molecular Weight 369.340 g/mol
SMILES N([C@@]1([C@@]2(C=C[C@](C1)(CC2)[H])O)C(OCc1ccccc1)=O)C(C(F)(F)F)=O
SPLASH splash10-0005-9000000000-4f74accce14ce125ddd7
Source of Spectrum B-47-1713-0
Wiley ID 1353574