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4-(1-phenylprop-2-ynyl)-1-tosyl-1-azaspiro[4.4]nonan-6-one
SpectraBase Compound ID ANoVshfo72K
InChI InChI=1S/C24H25NO3S/c1-3-21(19-8-5-4-6-9-19)22-15-17-25(24(22)16-7-10-23(24)26)29(27,28)20-13-11-18(2)12-14-20/h1,4-6,8-9,11-14,21-22H,7,10,15-17H2,2H3/t21?,22-,24-/m1/s1
InChIKey WTBSMWUVQNVHNP-YUWPFLFCSA-N
Mol Weight 407.53 g/mol
Molecular Formula C24H25NO3S
Exact Mass 407.155515 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C3sXc8RWmha
Name 4-(1-phenylprop-2-ynyl)-1-tosyl-1-azaspiro[4.4]nonan-6-one
Alternate Name(s) (4R,5R)-4-((R)-1-phenylprop-2-yn-1-yl)-1-tosyl-1-azaspiro[4.4]nonan-6-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H25NO3S
InChI InChI=1S/C24H25NO3S/c1-3-21(19-8-5-4-6-9-19)22-15-17-25(24(22)16-7-10-23(24)26)29(27,28)20-13-11-18(2)12-14-20/h1,4-6,8-9,11-14,21-22H,7,10,15-17H2,2H3/t21?,22-,24-/m1/s1
InChIKey WTBSMWUVQNVHNP-YUWPFLFCSA-N
Literature Reference DOI 10.1039/c3cc49650c
Molecular Weight 407.528 g/mol
SMILES [C@@]12(C(=O)CCC2)[C@](CCN1S(c1ccc(cc1)C)(=O)=O)(C(C#C)c1ccccc1)[H]
SPLASH splash10-002e-5904000000-cf7e71405cc2be050fcc
Source of Spectrum KD-50-5691/SMS11-3n
Wiley ID 1754424