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4-[3,8-Dimethyl-5-(propan-2-yl)azulen-1-yl]-2,6-diphenylpyrimidine
SpectraBase Compound ID 1nxEXSQfyxX
InChI InChI=1S/C31H28N2/c1-20(2)25-16-15-21(3)30-26(18-25)22(4)17-27(30)29-19-28(23-11-7-5-8-12-23)32-31(33-29)24-13-9-6-10-14-24/h5-20H,1-4H3
InChIKey NQYBMDHGZUXTJW-UHFFFAOYSA-N
Mol Weight 428.58 g/mol
Molecular Formula C31H28N2
Exact Mass 428.225249 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IqK5C0wjdZD
Name 4-[3,8-Dimethyl-5-(propan-2-yl)azulen-1-yl]-2,6-diphenylpyrimidine
Appearance Dark green solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H28N2
InChI InChI=1S/C31H28N2/c1-20(2)25-16-15-21(3)30-26(18-25)22(4)17-27(30)29-19-28(23-11-7-5-8-12-23)32-31(33-29)24-13-9-6-10-14-24/h5-20H,1-4H3
InChIKey NQYBMDHGZUXTJW-UHFFFAOYSA-N
Instrument Name Finnigen MAT 200
Ionization Type EI+
Literature Reference DOI 10.3762/bjoc.7.136
Molecular Weight 428.579 g/mol
SMILES c1(nc(cc(n1)-c1ccccc1)-c1cc(c2c1c(ccc(c2)C(C)C)C)C)-c1ccccc1
SPLASH splash10-0059-0803900000-cd011e9e09256a24e338
Source of Spectrum BJO-7-SM27-5e
Wiley ID 1867046