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4-(4-Chlorophenyl)-1,2,3,4-tetrahydro-(5H)-[1]benzopyrano[4,3-c]pyrimidine-2-thione
SpectraBase Compound ID FB8kBk3F02U
InChI InChI=1S/C17H13ClN2OS/c18-11-7-5-10(6-8-11)15-13-9-21-14-4-2-1-3-12(14)16(13)20-17(22)19-15/h1-8,15H,9H2,(H2,19,20,22)
InChIKey LMOXVRNXMUJEKQ-UHFFFAOYSA-N
Mol Weight 328.82 g/mol
Molecular Formula C17H13ClN2OS
Exact Mass 328.043712 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6UwApn84ULF
Name 4-(4-Chlorophenyl)-1,2,3,4-tetrahydro-(5H)-[1]benzopyrano[4,3-c]pyrimidine-2-thione
Alternate Name(s) 4-(4-Chlorophenyl)-1,3,4,5-tetrahydro[1]benzopyrano[4,3-d]pyrimidine-2-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13ClN2OS
InChI InChI=1S/C17H13ClN2OS/c18-11-7-5-10(6-8-11)15-13-9-21-14-4-2-1-3-12(14)16(13)20-17(22)19-15/h1-8,15H,9H2,(H2,19,20,22)
InChIKey LMOXVRNXMUJEKQ-UHFFFAOYSA-N
Molecular Weight 328.817 g/mol
SMILES N1C(NC(C2=C1c1ccccc1OC2)c1ccc(cc1)Cl)=S
SPLASH splash10-004i-0029000000-fc3a6f43bc02ce153623
Source of Spectrum Y1-42-1987-11
Wiley ID 1565319