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1-(1-adamantyl)-2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone

View entire compound with spectra: 1 MS (GC)

1-(1-adamantyl)-2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
SpectraBase Compound ID 5lUAtLiqhrQ
InChI InChI=1S/C30H35N3OS/c1-29(2,3)24-11-9-23(10-12-24)27-31-32-28(33(27)25-7-5-4-6-8-25)35-19-26(34)30-16-20-13-21(17-30)15-22(14-20)18-30/h4-12,20-22H,13-19H2,1-3H3/t20-,21+,22-,30-
InChIKey NYXFALNWTOYYAS-LRCVZRIPSA-N
Mol Weight 485.7 g/mol
Molecular Formula C30H35N3OS
Exact Mass 485.250084 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AK0kLJSHoMw
Name 1-(1-adamantyl)-2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
Alternate Name(s) 1-(1-adamantyl)-2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H35N3OS
InChI InChI=1S/C30H35N3OS/c1-29(2,3)24-11-9-23(10-12-24)27-31-32-28(33(27)25-7-5-4-6-8-25)35-19-26(34)30-16-20-13-21(17-30)15-22(14-20)18-30/h4-12,20-22H,13-19H2,1-3H3/t20-,21+,22-,30-
InChIKey NYXFALNWTOYYAS-LRCVZRIPSA-N
Molecular Weight 485.690 g/mol
SMILES c1(nnc([n]1-c1ccccc1)-c1ccc(cc1)C(C)(C)C)SCC(=O)C12C[C@]3(C[C@](C[C@](C3)(C1)[H])(C2)[H])[H]
SPLASH splash10-002u-9612000000-98c49a0c67baeea50345
Wiley ID 1444237