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4H-Cyclohepta[d]pyrimidine-4-thione, 1-(2,2-dimethylpropyl)-1,5,6,7,8,9-hexahydro-2-phenyl-
SpectraBase Compound ID GVHhPoRSPXu
InChI InChI=1S/C20H26N2S/c1-20(2,3)14-22-17-13-9-5-8-12-16(17)19(23)21-18(22)15-10-6-4-7-11-15/h4,6-7,10-11H,5,8-9,12-14H2,1-3H3
InChIKey QSUVIQYBQVERIF-UHFFFAOYSA-N
Mol Weight 326.5 g/mol
Molecular Formula C20H26N2S
Exact Mass 326.18167 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7EcGFuLIn6i
Name 4H-Cyclohepta[d]pyrimidine-4-thione, 1-(2,2-dimethylpropyl)-1,5,6,7,8,9-hexahydro-2-phenyl-
Alternate Name(s) 1-Neopentyl-2-phenyl-6,7,8,9-tetrahydro-1H-cyclohepta[d]pyrimidine-4(5H)-thione 1-(2,2-dimethylpropyl)-2-phenyl-1,5,6,7,8,9-hexahydro-4H-cyclohepta[d]pyrimidine-4-thione 1-(2,2-dimethylpropyl)-2-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-4-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26N2S
InChI InChI=1S/C20H26N2S/c1-20(2,3)14-22-17-13-9-5-8-12-16(17)19(23)21-18(22)15-10-6-4-7-11-15/h4,6-7,10-11H,5,8-9,12-14H2,1-3H3
InChIKey QSUVIQYBQVERIF-UHFFFAOYSA-N
Molecular Weight 326.502 g/mol
SMILES CC(C)(C)CN1C=2CCCCCC2C(=S)N=C1c1ccccc1
SPLASH splash10-0a6u-6394000000-de3361616f9dbfa3269f
Source of Spectrum JX-2015-3-448
Wiley ID 1724014