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QIRVPAGABVBIOT-PIIHGWKCSA-N
SpectraBase Compound ID HedDlWwsWwL
InChI InChI=1S/C17H19N6O4PS/c18-15-12-16(20-8-19-15)22(9-21-12)17-14(24)13-11(27-17)7-26-28(25,29)23(13)6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,24H,6-7H2,(H,25,29)(H2,18,19,20)/t11-,13+,14+,17+,28?/m1/s1
InChIKey QIRVPAGABVBIOT-PIIHGWKCSA-N
Mol Weight 434.41 g/mol
Molecular Formula C17H19N6O4PS
Exact Mass 434.092611 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1zZRsvgwisD
Name QIRVPAGABVBIOT-PIIHGWKCSA-N
Compound Number 17A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H18N6O4PS
InChI InChI=1S/C17H19N6O4PS/c18-15-12-16(20-8-19-15)22(9-21-12)17-14(24)13-11(27-17)7-26-28(25,29)23(13)6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,24H,6-7H2,(H,25,29)(H2,18,19,20)/t11-,13+,14+,17+,28?/m1/s1
InChIKey QIRVPAGABVBIOT-PIIHGWKCSA-N
Literature Reference Author M.MORR,L.ERNST
Literature Reference Citation CHEM.BER.,111,2152(1978)
Literature Reference DOI 10.1002/cber.19781110612
Molecular Weight 433.401 g/mol
Solvent D2O,PD=8-10
Source File Reference UWCS8982