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4-(p-methoxyphenyl)-4,5,6,7-tetrahydro-3H-benzo[6,7]cyclohepta[1,2-d]pyrimidine-2-thiol
SpectraBase Compound ID B4zNAUGAgke
InChI InChI=1S/C20H20N2OS/c1-23-15-11-9-14(10-12-15)18-17-8-4-6-13-5-2-3-7-16(13)19(17)22-20(24)21-18/h2-3,5,7,9-12,18H,4,6,8H2,1H3,(H2,21,22,24)
InChIKey XEEMKQFVDOSCCE-UHFFFAOYSA-N
Mol Weight 336.45 g/mol
Molecular Formula C20H20N2OS
Exact Mass 336.129634 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AY0gSckyUCf
Name 4-(4-Methoxyphenyl)-1,3,4,5,6,7-hexahydro-2-thioxo-benzo[6,7]cyclohepta[1,2-d]-pyrimidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20N2OS
InChI InChI=1S/C20H20N2OS/c1-23-15-11-9-14(10-12-15)18-17-8-4-6-13-5-2-3-7-16(13)19(17)22-20(24)21-18/h2-3,5,7,9-12,18H,4,6,8H2,1H3,(H2,21,22,24)
InChIKey XEEMKQFVDOSCCE-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.201100212
Molecular Weight 336.453 g/mol
SMILES N1C(NC(C2=C1c1ccccc1CCC2)c1ccc(cc1)OC)=S
SPLASH splash10-002r-1239000000-4ddbfcae2a95d31d65ee
Source of Spectrum APC-345-120-4
Synonyms 4-(4-Methoxyphenyl)-3,4,6,7-tetrahydro-1H-benzo[6,7]cyclohepta[1,2-d]pyrimidine-2(5H)-thione
Wiley ID 1769300