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[2'-Amino-1'-(4"-methylphenyl)-5'-benzoyl-1',4',5',6'-tetrahydro-6'-thioxo]-spiro[cyclohexane-1,4'-pyridine]-3'-carbonitrile

View entire compound with spectra: 1 MS (GC)

[2'-Amino-1'-(4"-methylphenyl)-5'-benzoyl-1',4',5',6'-tetrahydro-6'-thioxo]-spiro[cyclohexane-1,4'-pyridine]-3'-carbonitrile
SpectraBase Compound ID FWQZczAJXh9
InChI InChI=1S/C25H25N3OS/c1-17-10-12-19(13-11-17)28-23(27)20(16-26)25(14-6-3-7-15-25)21(24(28)30)22(29)18-8-4-2-5-9-18/h2,4-5,8-13,21H,3,6-7,14-15,27H2,1H3
InChIKey ZXXUQLIRJZUGQL-UHFFFAOYSA-N
Mol Weight 415.56 g/mol
Molecular Formula C25H25N3OS
Exact Mass 415.171834 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4FlfTZ5MAK
Name [2'-Amino-1'-(4"-methylphenyl)-5'-benzoyl-1',4',5',6'-tetrahydro-6'-thioxo]-spiro[cyclohexane-1,4'-pyridine]-3'-carbonitrile
Alternate Name(s) 2-Amino-5-benzoyl-3-(4-methylphenyl)-4-thioxo-3-azaspiro[5.5]undec-1-ene-1-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H25N3OS
InChI InChI=1S/C25H25N3OS/c1-17-10-12-19(13-11-17)28-23(27)20(16-26)25(14-6-3-7-15-25)21(24(28)30)22(29)18-8-4-2-5-9-18/h2,4-5,8-13,21H,3,6-7,14-15,27H2,1H3
InChIKey ZXXUQLIRJZUGQL-UHFFFAOYSA-N
Molecular Weight 415.555 g/mol
SMILES NC=1N(C(=S)C(C2(C1C#N)CCCCC2)C(=O)c1ccccc1)c1ccc(cc1)C
SPLASH splash10-0nb9-8889800000-c18a8c1506edcc2a34c9
Source of Spectrum U-1994-634-3
Wiley ID 765963