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(2Z)-2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-(1-methyl-1H-pyrazol-4-yl)-2-propenenitrile
SpectraBase Compound ID GbdwtrP1He5
InChI InChI=1S/C20H22N4S/c1-24-11-16(10-22-24)5-17(9-21)19-23-18(12-25-19)20-6-13-2-14(7-20)4-15(3-13)8-20/h5,10-15H,2-4,6-8H2,1H3/b17-5-/t13-,14+,15-,20-
InChIKey GXTNJSPNZURYAJ-WBMZUSDHSA-N
Mol Weight 350.48 g/mol
Molecular Formula C20H22N4S
Exact Mass 350.156518 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1KqC2iQlC0k
Name 2-Thiazoleacetonitrile, .alpha.-[(1-methyl-1H-pyrazol-4-yl)methylidene]-4-tricyclo[3.3.1.1(3,7)]dec-1-yl-
Alternate Name(s) (Z)-2-[4-(1-adamantyl)-2-thiazolyl]-3-(1-methyl-4-pyrazolyl)-2-propenenitrile (Z)-2-[4-(1-adamantyl)thiazol-2-yl]-3-(1-methylpyrazol-4-yl)prop-2-enenitrile (Z)-2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-(1-methylpyrazol-4-yl)prop-2-enenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22N4S
InChI InChI=1S/C20H22N4S/c1-24-11-16(10-22-24)5-17(9-21)19-23-18(12-25-19)20-6-13-2-14(7-20)4-15(3-13)8-20/h5,10-15H,2-4,6-8H2,1H3/b17-5-/t13-,14+,15-,20-
InChIKey GXTNJSPNZURYAJ-WBMZUSDHSA-N
Molecular Weight 350.484 g/mol
SMILES C12(C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])c1nc(sc1)\C(C#N)=C/c1c[n](nc1)C
SPLASH splash10-0udi-3239000000-f20c8d9524e7a0113bde
Source of Spectrum IY-2-4781-8
Wiley ID 1655801