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N(10)-(TRIFLUOROACETYL)-PYROFOLIC-ACID

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N(10)-(TRIFLUOROACETYL)-PYROFOLIC-ACID
SpectraBase Compound ID JC3OgnuJoZK
InChI InChI=1S/2C21H18F3N7O5/c2*22-21(23,24)19(36)31(9-11-8-26-15-14(27-11)16(32)29-20(25)28-15)12-5-3-10(4-6-12)17(33)30-7-1-2-13(30)18(34)35/h2*3-6,8,13H,1-2,7,9H2,(H,34,35)(H3,25,26,28,29,32)/t2*13-/m00/s1
InChIKey WBBJOTVFSPGIPU-CHNGVTQJSA-N
Mol Weight 1010.83 g/mol
Molecular Formula C42H36F6N14O10
Exact Mass 1010.264302 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BmFWYhwYVMo
Name N(10)-(TRIFLUOROACETYL)-PYROFOLIC-ACID
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H36F6N14O10
InChI InChI=1S/2C21H18F3N7O5/c2*22-21(23,24)19(36)31(9-11-8-26-15-14(27-11)16(32)29-20(25)28-15)12-5-3-10(4-6-12)17(33)30-7-1-2-13(30)18(34)35/h2*3-6,8,13H,1-2,7,9H2,(H,34,35)(H3,25,26,28,29,32)/t2*13-/m00/s1
InChIKey WBBJOTVFSPGIPU-CHNGVTQJSA-N
Literature Reference Author N.VALIAEVA,D.BARTLEY,T.KONNO,J.K.COWARD
Literature Reference Citation J.ORG.CHEM.,66,5146(2001)
Literature Reference DOI 10.1021/jo010283t
Molecular Weight 1010.826 g/mol
Solvent DMSO-D6
Source File Reference UWLU27207