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(1R,9aS)-9-(4-methylphenyl)sulfonyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carbaldehyde
SpectraBase Compound ID E36rLHxfy0R
InChI InChI=1S/C17H23NO3S/c1-13-6-8-15(9-7-13)22(20,21)16-5-3-11-18-10-2-4-14(12-19)17(16)18/h6-9,12,14,16-17H,2-5,10-11H2,1H3/t14-,16?,17-/m0/s1
InChIKey KHWGVYMECFVALU-NZEUDUFCSA-N
Mol Weight 321.44 g/mol
Molecular Formula C17H23NO3S
Exact Mass 321.139865 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K0D3uGJGpyY
Name (1R,9aS)-9-(4-methylphenyl)sulfonyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carbaldehyde
Alternate Name(s) (1R,9aS)-9-(4-methylphenyl)sulfonyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxaldehyde (1R,9aS)-9-(p-tolylsulfonyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carbaldehyde (1R,9aS)-9-tosylquinolizidine-1-carbaldehyde
Comments Less than 3 mono-isotopic peaks
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Formula C17H23NO3S
InChI InChI=1S/C17H23NO3S/c1-13-6-8-15(9-7-13)22(20,21)16-5-3-11-18-10-2-4-14(12-19)17(16)18/h6-9,12,14,16-17H,2-5,10-11H2,1H3/t14-,16?,17-/m0/s1
InChIKey KHWGVYMECFVALU-NZEUDUFCSA-N
Molecular Weight 321.435 g/mol
SMILES C1(S(c2ccc(cc2)C)(=O)=O)[C@]2(N(CCC[C@]2(C=O)[H])CCC1)[H]
SPLASH splash10-000i-0900000000-d9f2698e7f9f1c21a91d
Source of Spectrum O1-65-399-7
Wiley ID 1593033