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(3S*, 7R*, 11S*)-N-Tosyl-5-azatricyclo[9.3.0.0(3,7)]tetradec-1-ene-9-one
SpectraBase Compound ID KKRiRWSaOku
InChI InChI=1S/C20H25NO3S/c1-14-5-7-20(8-6-14)25(23,24)21-12-17-9-15-3-2-4-16(15)10-19(22)11-18(17)13-21/h5-9,16-18H,2-4,10-13H2,1H3/b15-9-/t16-,17+,18-/m0/s1
InChIKey AZGACTWLKMABIA-YQALCJKVSA-N
Mol Weight 359.48 g/mol
Molecular Formula C20H25NO3S
Exact Mass 359.155515 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CU6qn5UxhWh
Name (3S*, 7R*, 11S*)-N-Tosyl-5-azatricyclo[9.3.0.0(3,7)]tetradec-1-ene-9-one
Alternate Name(s) (3aR,6aS,10aS,Z)-2-tosyl-1,2,3,3a,4,6a,7,8,9,10a-decahydrocyclopenta[4,5]cycloocta[1,2-c]pyrrol-5(6H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H25NO3S
InChI InChI=1S/C20H25NO3S/c1-14-5-7-20(8-6-14)25(23,24)21-12-17-9-15-3-2-4-16(15)10-19(22)11-18(17)13-21/h5-9,16-18H,2-4,10-13H2,1H3/b15-9-/t16-,17+,18-/m0/s1
InChIKey AZGACTWLKMABIA-YQALCJKVSA-N
Literature Reference DOI 10.1002/asia.201000053
Molecular Weight 359.484 g/mol
SMILES [C@]12([H])[C@@]([H])(CN(C2)S(=O)(=O)c2ccc(C)cc2)\C=C/2[C@](CC(C1)=O)(CCC2)[H]
SPLASH splash10-0f6x-9335000000-c38a1ccfa50012c0e539
Source of Spectrum CAJ-5-1555/SM15-9
Wiley ID 1774665