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XVAYHCYBDNYXBE-FZSMXKCYSA-N

View entire compound with spectra: 3 NMR

XVAYHCYBDNYXBE-FZSMXKCYSA-N
SpectraBase Compound ID ItU5TSp8PSL
InChI InChI=1S/C9H18N4O2.C4H7NO/c14-8-7-9(15)13-6-4-11-2-1-10-3-5-12-8;1-4(6)2-3-5/h10-11H,1-7H2,(H,12,14)(H,13,15);4,6H,2H2,1H3/t;4-/m.1/s1
InChIKey XVAYHCYBDNYXBE-FZSMXKCYSA-N
Mol Weight 299.37 g/mol
Molecular Formula C13H25N5O3
Exact Mass 299.19574 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GuUmez1VHsA
Name XVAYHCYBDNYXBE-FZSMXKCYSA-N
Compound Number 2/15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H25N5O3
InChI InChI=1S/C9H18N4O2.C4H7NO/c14-8-7-9(15)13-6-4-11-2-1-10-3-5-12-8;1-4(6)2-3-5/h10-11H,1-7H2,(H,12,14)(H,13,15);4,6H,2H2,1H3/t;4-/m.1/s1
InChIKey XVAYHCYBDNYXBE-FZSMXKCYSA-N
Literature Reference Author T.ITOH,Y.TAKAGI,T.MURAKAMI,Y.HIYAMA,H.TSUKUBE
Literature Reference Citation J.ORG.CHEM.,61,2158(1996)
Literature Reference DOI 10.1021/jo951598+
Molecular Weight 299.373 g/mol
Solvent CDCl3;1-EQUIVALENT-CROWN-ETHER