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6-[4-(4-Butoxyphenylazo)phenylethynyl]isoquinoline
SpectraBase Compound ID AMDUwxOSm06
InChI InChI=1S/C27H23N3O/c1-2-3-18-31-27-14-12-26(13-15-27)30-29-25-10-7-21(8-11-25)4-5-22-6-9-24-20-28-17-16-23(24)19-22/h6-17,19-20H,2-3,18H2,1H3/b30-29+
InChIKey OCOMSRQCDRMDJC-QVIHXGFCSA-N
Mol Weight 405.5 g/mol
Molecular Formula C27H23N3O
Exact Mass 405.184112 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID dYFbxG2aPn
Name 6-[4-(4-Butoxyphenylazo)phenylethynyl]isoquinoline
Alternate Name(s) 6-({4-[(E)-(4-butoxyphenyl)diazenyl]phenyl}ethynyl)isoquinoline Butyl 4-{(E)-[4-(6-isoquinolinylethynyl)phenyl]diazenyl}phenyl ether
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H23N3O
InChI InChI=1S/C27H23N3O/c1-2-3-18-31-27-14-12-26(13-15-27)30-29-25-10-7-21(8-11-25)4-5-22-6-9-24-20-28-17-16-23(24)19-22/h6-17,19-20H,2-3,18H2,1H3/b30-29+
InChIKey OCOMSRQCDRMDJC-QVIHXGFCSA-N
Molecular Weight 405.501 g/mol
SMILES C(#Cc1ccc(\N=N\c2ccc(cc2)OCCCC)cc1)c1cc2ccncc2cc1
SPLASH splash10-002b-0930000000-f539fb6479b814c8e98c
Source of Spectrum KC-0-444-6
Wiley ID 825089