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Isoquinoline, 2,3,4,4a,5,6,7,8-octahydro-3-methoxy-1-methyl-4-methylene-2-(phenylsulfonyl)-, trans-
SpectraBase Compound ID Ln8SfeFpumJ
InChI InChI=1S/C18H23NO3S/c1-13-16-11-7-8-12-17(16)14(2)19(18(13)22-3)23(20,21)15-9-5-4-6-10-15/h4-6,9-10,16,18H,1,7-8,11-12H2,2-3H3/t16-,18+/m0/s1
InChIKey DVMFPWIXFHLNAG-FUHWJXTLSA-N
Mol Weight 333.45 g/mol
Molecular Formula C18H23NO3S
Exact Mass 333.139865 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KqdJqVjBshT
Name Isoquinoline, 2,3,4,4a,5,6,7,8-octahydro-3-methoxy-1-methyl-4-methylene-2-(phenylsulfonyl)-, trans-
Alternate Name(s) (3R,4aR)-1-methyl-4-methylene-2-(phenylsulfonyl)-2,3,4,4a,5,6,7,8-octahydro-3-isoquinolinyl methyl ether (3R,4aR)-3-methoxy-1-methyl-4-methylene-2-(phenylsulfonyl)-2,3,4,4a,5,6,7,8-octahydroisoquinoline (3S*,4aR*)-3-methoxy-1-methyl-4-methlene-2-(phenylsufonyl)-2,3,4,4a,5,6,7-octahydroisoquinoline
CAS Registry Number 132646-73-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23NO3S
InChI InChI=1S/C18H23NO3S/c1-13-16-11-7-8-12-17(16)14(2)19(18(13)22-3)23(20,21)15-9-5-4-6-10-15/h4-6,9-10,16,18H,1,7-8,11-12H2,2-3H3/t16-,18+/m0/s1
InChIKey DVMFPWIXFHLNAG-FUHWJXTLSA-N
Molecular Weight 333.446 g/mol
SMILES c1(S(N2C(=C3CCCC[C@]3(C([C@]2(OC)[H])=C)[H])C)(=O)=O)ccccc1
SPLASH splash10-0fal-9404000000-c92b93e7971ff1443fd4
Source of Spectrum C-113-1721-2
Wiley ID 1330203