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(Z)-(R)-7-(1-Benzyl-1H-[1,2,3]triazol-4-ylmethyl)-4-methoxy-7,8,9,10,11,14-hexahydro-6-oxa-benzocyclododecen-5-one
SpectraBase Compound ID 81cT4GmjLyn
InChI InChI=1S/C26H29N3O3/c1-31-24-16-10-14-21-13-8-3-2-4-9-15-23(32-26(30)25(21)24)17-22-19-29(28-27-22)18-20-11-6-5-7-12-20/h3,5-8,10-12,14,16,19,23H,2,4,9,13,15,17-18H2,1H3/b8-3-/t23-/m1/s1
InChIKey JMBWXADDIKYKTR-BGLDCGIESA-N
Mol Weight 431.54 g/mol
Molecular Formula C26H29N3O3
Exact Mass 431.220892 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CrgNSWvN7tU
Name (Z)-(R)-7-(1-Benzyl-1H-[1,2,3]triazol-4-ylmethyl)-4-methoxy-7,8,9,10,11,14-hexahydro-6-oxa-benzocyclododecen-5-one
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Formula C26H29N3O3
InChI InChI=1S/C26H29N3O3/c1-31-24-16-10-14-21-13-8-3-2-4-9-15-23(32-26(30)25(21)24)17-22-19-29(28-27-22)18-20-11-6-5-7-12-20/h3,5-8,10-12,14,16,19,23H,2,4,9,13,15,17-18H2,1H3/b8-3-/t23-/m1/s1
InChIKey JMBWXADDIKYKTR-BGLDCGIESA-N
Molecular Weight 431.536 g/mol
SMILES C1(c2c(OC)cccc2C\C=C/CCCC[C@](Cc2nn[n](c2)Cc2ccccc2)(O1)[H])=O
SPLASH splash10-002f-9100000000-3dc24e1fadf06e3347b9
Source of Spectrum K1-2007-84-17
Synonyms (3R)-3-[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl]-14-methoxy-3,4,5,6,7,10-hexahydro-1H-2-benzoxacyclododecin-1-one 14-Methoxy-3-{[1'-(phenylmethyl)-1H-1',2',3'-triazol-4'-yl]methyl}-(hexahydro-1H)-2-benzoxacyclododecin-1-one
Wiley ID 1638984