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7-ethyl-9-(4-chlorobenzyl-idene)-5-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-pyrido[4,3-d]thiazolo[3,2-a]pyramidines
SpectraBase Compound ID 7L7lZdhQbfp
InChI InChI=1S/C24H21Cl2N3S/c1-2-28-14-18(13-16-3-7-19(25)8-4-16)22-21(15-28)23(17-5-9-20(26)10-6-17)29-11-12-30-24(29)27-22/h3-13,23H,2,14-15H2,1H3/b18-13+
InChIKey KSHJMIASKLFMCV-QGOAFFKASA-N
Mol Weight 454.42 g/mol
Molecular Formula C24H21Cl2N3S
Exact Mass 453.083324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H06ayVwF5L3
Name 7-ethyl-9-(4-chlorobenzyl-idene)-5-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-pyrido[4,3-d]thiazolo[3,2-a]pyramidines
Comments Less than 3 mono-isotopic peaks
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Formula C24H21Cl2N3S
InChI InChI=1S/C24H21Cl2N3S/c1-2-28-14-18(13-16-3-7-19(25)8-4-16)22-21(15-28)23(17-5-9-20(26)10-6-17)29-11-12-30-24(29)27-22/h3-13,23H,2,14-15H2,1H3/b18-13+
InChIKey KSHJMIASKLFMCV-QGOAFFKASA-N
Molecular Weight 454.419 g/mol
SMILES C12=C(N=C3SC=CN3C2c2ccc(cc2)Cl)\C(=C\c2ccc(cc2)Cl)CN(C1)CC
SPLASH splash10-0udi-0000900000-0d2ddb098a5b525be4a5
Source of Spectrum F2-47-71-36
Wiley ID 1706185