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VRLVNWGZFOLUSP-DDLBXPFCSA-O

View entire compound with spectra: 1 NMR

VRLVNWGZFOLUSP-DDLBXPFCSA-O
SpectraBase Compound ID 40Tv04tM82v
InChI InChI=1S/C16H12N3O8.C6H15N/c20-12-6-9-10(17(22)23)7-11(18(24)25)13(15(9)19(26)27)14(12)16(21)8-4-2-1-3-5-8;1-4-7(5-2)6-3/h1-5,7,9,13-15H,6H2;4-6H2,1-3H3/q-1;/p+1/t9-,13-,14-,15?;/m1./s1
InChIKey VRLVNWGZFOLUSP-DDLBXPFCSA-O
Mol Weight 476.49 g/mol
Molecular Formula C22H28N4O8
Exact Mass 476.190714 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EiBB3XuhQIk
Name VRLVNWGZFOLUSP-DDLBXPFCSA-O
Compound Number 7A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H28N4O8
InChI InChI=1S/C16H12N3O8.C6H15N/c20-12-6-9-10(17(22)23)7-11(18(24)25)13(15(9)19(26)27)14(12)16(21)8-4-2-1-3-5-8;1-4-7(5-2)6-3/h1-5,7,9,13-15H,6H2;4-6H2,1-3H3/q-1;/p+1/t9-,13-,14-,15?;/m1./s1
InChIKey VRLVNWGZFOLUSP-DDLBXPFCSA-O
Literature Reference Author V.MACHACEK,A.LYCKA
Literature Reference Citation COLL.CZ.CH.COMM.,49,244(1984)
Literature Reference DOI 10.1135/cccc19840244
Molecular Weight 476.486 g/mol
Solvent DMSO-D6
Source File Reference UWCS8329