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5H-15,16,17,18-Tetrahydrodibenzo[b,i][1,14,4,5,7,8]dioxatetraazacyclopentadecine-7-carbonitrile
SpectraBase Compound ID I1iBYaKUFE0
InChI InChI=1S/C18H17N5O2/c19-13-18-22-20-14-7-1-3-9-16(14)24-11-5-6-12-25-17-10-4-2-8-15(17)21-23-18/h1-4,7-10,20H,5-6,11-12H2/b22-18-,23-21+
InChIKey QVOZUZNEHBNCBH-DUJMCHSFSA-N
Mol Weight 335.37 g/mol
Molecular Formula C18H17N5O2
Exact Mass 335.138225 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BurLyKQs48I
Name 5H-15,16,17,18-Tetrahydrodibenzo[B,I][1,14,4,5,7,8]dioxatetraazacyclopentadecine-7-carbonitrile
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 335.138224805 u
Formula C18H17N5O2
InChI InChI=1S/C18H17N5O2/c19-13-18-22-20-14-7-1-3-9-16(14)24-11-5-6-12-25-17-10-4-2-8-15(17)21-23-18/h1-4,7-10,20H,5-6,11-12H2/b22-18-,23-21+
InChIKey QVOZUZNEHBNCBH-DUJMCHSFSA-N
Molecular Weight 335.367 g/mol
SMILES C=12\N=N\C(=N/NC=3C(OCCCCOC2=CC=CC1)=CC=CC3)C#N