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7-(3-Phenyl-2-propynyl)-5,6,7,8,9,10-hexahydro-2H-1,13,4,7,10-benzodioxatriazacyclopentadecine-3,11(4H,12H)-dione

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7-(3-Phenyl-2-propynyl)-5,6,7,8,9,10-hexahydro-2H-1,13,4,7,10-benzodioxatriazacyclopentadecine-3,11(4H,12H)-dione
SpectraBase Compound ID FSPthoX5ruw
InChI InChI=1S/C23H25N3O4/c27-22-17-29-20-10-4-5-11-21(20)30-18-23(28)25-13-16-26(15-12-24-22)14-6-9-19-7-2-1-3-8-19/h1-5,7-8,10-11H,12-18H2,(H,24,27)(H,25,28)
InChIKey SQKPQQARFIHNQT-UHFFFAOYSA-N
Mol Weight 407.47 g/mol
Molecular Formula C23H25N3O4
Exact Mass 407.184506 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4nZF7rfxGNb
Name 7-(3-Phenyl-2-propynyl)-5,6,7,8,9,10-hexahydro-2H-1,13,4,7,10-benzodioxatriazacyclopentadecine-3,11(4H,12H)-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 407.184506293 u
Formula C23H25N3O4
InChI InChI=1S/C23H25N3O4/c27-22-17-29-20-10-4-5-11-21(20)30-18-23(28)25-13-16-26(15-12-24-22)14-6-9-19-7-2-1-3-8-19/h1-5,7-8,10-11H,12-18H2,(H,24,27)(H,25,28)
InChIKey SQKPQQARFIHNQT-UHFFFAOYSA-N
Molecular Weight 407.470 g/mol
SMILES C1CN(CC#CC2=CC=CC=C2)CCNC(=O)COC2=C(OCC(N1)=O)C=CC=C2