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14-Methoxy-3-{[1'-(2"-pyridinylmethyl)-1H-1',2',3'-triazol-4'-yl]methyl}-(hexahydro-1H)-2-benzoxacyclododecin-1-one
SpectraBase Compound ID BbQfzosnZpr
InChI InChI=1S/C25H28N4O3/c1-31-23-14-9-11-19-10-5-3-2-4-6-13-22(32-25(30)24(19)23)16-21-18-29(28-27-21)17-20-12-7-8-15-26-20/h5,7-12,14-15,18,22H,2-4,6,13,16-17H2,1H3/b10-5-
InChIKey YQUIMTYALJSKFC-YHYXMXQVSA-N
Mol Weight 432.52 g/mol
Molecular Formula C25H28N4O3
Exact Mass 432.216141 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BCR7gEyKvHJ
Name 14-Methoxy-3-{[1'-(2"-pyridinylmethyl)-1H-1',2',3'-triazol-4'-yl]methyl}-(hexahydro-1H)-2-benzoxacyclododecin-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H28N4O3
InChI InChI=1S/C25H28N4O3/c1-31-23-14-9-11-19-10-5-3-2-4-6-13-22(32-25(30)24(19)23)16-21-18-29(28-27-21)17-20-12-7-8-15-26-20/h5,7-12,14-15,18,22H,2-4,6,13,16-17H2,1H3/b10-5-
InChIKey YQUIMTYALJSKFC-YHYXMXQVSA-N
Molecular Weight 432.524 g/mol
SMILES C1(c2c(\C=C/CCCCCC(Cc3nn[n](c3)Cc3ncccc3)O1)cccc2OC)=O
SPLASH splash10-0007-5902100000-55ec96bcbbd6fce6b0fe
Source of Spectrum K1-2007-84-17
Synonyms 14-Methoxy-3-{[1-(2-pyridinylmethyl)-1H-1,2,3-triazol-4-yl]methyl}-3,4,5,6,7,8-hexahydro-1H-2-benzoxacyclododecin-1-one
Wiley ID 1638983