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4-Butyl-6-[3,8-dimethyl-5-(propan-2-yl)azulen-1-yl]-2-phenylpyrimidine
SpectraBase Compound ID H7nYNTqnTDW
InChI InChI=1S/C29H32N2/c1-6-7-13-24-18-27(31-29(30-24)22-11-9-8-10-12-22)26-16-21(5)25-17-23(19(2)3)15-14-20(4)28(25)26/h8-12,14-19H,6-7,13H2,1-5H3
InChIKey YZWVISNKGMHVKJ-UHFFFAOYSA-N
Mol Weight 408.6 g/mol
Molecular Formula C29H32N2
Exact Mass 408.256549 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BAWZ8PV9BKI
Name 4-Butyl-6-[3,8-dimethyl-5-(propan-2-yl)azulen-1-yl]-2-phenylpyrimidine
Appearance Dark blue solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H32N2
InChI InChI=1S/C29H32N2/c1-6-7-13-24-18-27(31-29(30-24)22-11-9-8-10-12-22)26-16-21(5)25-17-23(19(2)3)15-14-20(4)28(25)26/h8-12,14-19H,6-7,13H2,1-5H3
InChIKey YZWVISNKGMHVKJ-UHFFFAOYSA-N
Instrument Name Finnigen MAT 200
Ionization Type EI+
Literature Reference DOI 10.3762/bjoc.7.136
Molecular Weight 408.589 g/mol
SMILES c1(nc(cc(n1)CCCC)-c1cc(c2c1c(ccc(c2)C(C)C)C)C)-c1ccccc1
SPLASH splash10-0a4i-0102900000-bead1bee675e3b94b146
Source of Spectrum BJO-7-SM28-5f
Wiley ID 1867047