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3,6-bis[(1E)-4-tert-butyl-5,5-dimethyl-hexa-1,3-dienyl]cyclohex-4-ene-1,1,2,2-tetracarbonitrile
SpectraBase Compound ID 9mgUCMs9Ryb
InChI InChI=1S/C34H46N4/c1-29(2,3)27(30(4,5)6)17-13-15-25-19-20-26(34(23-37,24-38)33(25,21-35)22-36)16-14-18-28(31(7,8)9)32(10,11)12/h13-20,25-26H,1-12H3/b15-13+,16-14+
InChIKey HHEULPATUBWNFY-WXUKJITCSA-N
Mol Weight 510.8 g/mol
Molecular Formula C34H46N4
Exact Mass 510.372247 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GVRUQoopw3m
Name 3,6-bis[(1E)-4-tert-butyl-5,5-dimethyl-hexa-1,3-dienyl]cyclohex-4-ene-1,1,2,2-tetracarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H46N4
InChI InChI=1S/C34H46N4/c1-29(2,3)27(30(4,5)6)17-13-15-25-19-20-26(34(23-37,24-38)33(25,21-35)22-36)16-14-18-28(31(7,8)9)32(10,11)12/h13-20,25-26H,1-12H3/b15-13+,16-14+
InChIKey HHEULPATUBWNFY-WXUKJITCSA-N
Instrument Name FINNIGAN MAT 90x
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.11.139
Molecular Weight 510.770 g/mol
Reported Formula C34H46N4
SMILES C1(\C=C\C=C(C(C)(C)C)C(C)(C)C)C=CC(\C=C\C=C(C(C)(C)C)C(C)(C)C)C(C#N)(C#N)C1(C#N)C#N
SPLASH splash10-0a4i-9012000000-bf80a1ad60d723b082b6
Source of Spectrum BJO-11-SM22-45
Wiley ID 1851512