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4-(Benzotriazol-1'-yl)-4-ethoxy-1,6-diphenylhexa-1,6-diyn-3-ol
SpectraBase Compound ID EOjGaNbOcle
InChI InChI=1S/C26H21N3O2/c1-2-31-26(20-19-22-13-7-4-8-14-22,25(30)18-17-21-11-5-3-6-12-21)29-24-16-10-9-15-23(24)27-28-29/h3-16,25,30H,2H2,1H3
InChIKey VESBHXSCISBLQD-UHFFFAOYSA-N
Mol Weight 407.47 g/mol
Molecular Formula C26H21N3O2
Exact Mass 407.163377 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HTau3c4gSwA
Name 4-(Benzotriazol-1'-yl)-4-ethoxy-1,6-diphenylhexa-1,6-diyn-3-ol
Alternate Name(s) 4-(1-benzotriazolyl)-4-ethoxy-1,6-diphenyl-3-hexa-1,5-diynol 4-(benzotriazol-1-yl)-4-ethoxy-1,6-diphenylhexa-1,5-diyn-3-ol
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Formula C26H21N3O2
InChI InChI=1S/C26H21N3O2/c1-2-31-26(20-19-22-13-7-4-8-14-22,25(30)18-17-21-11-5-3-6-12-21)29-24-16-10-9-15-23(24)27-28-29/h3-16,25,30H,2H2,1H3
InChIKey VESBHXSCISBLQD-UHFFFAOYSA-N
Molecular Weight 407.473 g/mol
SMILES OC(C#Cc1ccccc1)C([n]1nnc2c1cccc2)(C#Cc1ccccc1)OCC
SPLASH splash10-004i-0940000000-40916952ca6e8a53bd4b
Source of Spectrum U-1996-1236-5
Wiley ID 768675