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N-[2-(1-adamantyl)ethyl]-2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]ethanamide
SpectraBase Compound ID IkdeilDkPfi
InChI InChI=1S/C21H25ClN2OS2/c22-16-1-2-18-17(8-16)24-20(27-18)26-12-19(25)23-4-3-21-9-13-5-14(10-21)7-15(6-13)11-21/h1-2,8,13-15H,3-7,9-12H2,(H,23,25)/t13-,14+,15-,21+
InChIKey FCWQQVQPWWNCMY-CKPNERPTSA-N
Mol Weight 421.02 g/mol
Molecular Formula C21H25ClN2OS2
Exact Mass 420.109683 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CkzFwZwKtsX
Name N-[2-(1-adamantyl)ethyl]-2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]ethanamide
Alternate Name(s) N-[2-(1-adamantyl)ethyl]-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetamide N-[2-(1-adamantyl)ethyl]-2-[(5-chloro-1,3-benzothiazol-2-yl)thio]acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25ClN2OS2
InChI InChI=1S/C21H25ClN2OS2/c22-16-1-2-18-17(8-16)24-20(27-18)26-12-19(25)23-4-3-21-9-13-5-14(10-21)7-15(6-13)11-21/h1-2,8,13-15H,3-7,9-12H2,(H,23,25)/t13-,14+,15-,21+
InChIKey FCWQQVQPWWNCMY-CKPNERPTSA-N
Molecular Weight 421.017 g/mol
SMILES N(C(CSc1nc2cc(Cl)ccc2s1)=O)CCC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H]
SPLASH splash10-066r-3590000000-a40ccefe47c48c9053ee
Wiley ID 1464198