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4H-cyclohepta[d]pyrimidine-4-thione, 1,5,6,7,8,9-hexahydro-2-phenyl-1-propyl-
SpectraBase Compound ID 8NfauzJs2t7
InChI InChI=1S/C18H22N2S/c1-2-13-20-16-12-8-4-7-11-15(16)18(21)19-17(20)14-9-5-3-6-10-14/h3,5-6,9-10H,2,4,7-8,11-13H2,1H3
InChIKey BPUMPAXQGLXZFQ-UHFFFAOYSA-N
Mol Weight 298.45 g/mol
Molecular Formula C18H22N2S
Exact Mass 298.15037 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kx7j2CqLyOV
Name 4H-cyclohepta[d]pyrimidine-4-thione, 1,5,6,7,8,9-hexahydro-2-phenyl-1-propyl-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22N2S
InChI InChI=1S/C18H22N2S/c1-2-13-20-16-12-8-4-7-11-15(16)18(21)19-17(20)14-9-5-3-6-10-14/h3,5-6,9-10H,2,4,7-8,11-13H2,1H3
InChIKey BPUMPAXQGLXZFQ-UHFFFAOYSA-N
Molecular Weight 298.448 g/mol
SMILES CCCN1C=2CCCCCC2C(=S)N=C1c1ccccc1
SPLASH splash10-052b-3190000000-d64faa692641ed97f6f2
Source of Spectrum JX-2015-2-1573
Synonyms 2-Phenyl-1-propyl-6,7,8,9-tetrahydro-1H-cyclohepta[d]pyrimidine-4(5H)-thione 2-Phenyl-1-propyl-1,5,6,7,8,9-hexahydro-4H-cyclohepta[d]pyrimidine-4-thione
Wiley ID 1723205