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METHYL_13-ETHYLTHIO-11-HYDROARTEMISINATE

View entire compound with spectra: 1 NMR, and 1 MS (GC)

METHYL_13-ETHYLTHIO-11-HYDROARTEMISINATE
SpectraBase Compound ID 1rMn8Ju8035
InChI InChI=1S/C18H30O2S/c1-5-21-11-17(18(19)20-4)15-9-7-13(3)14-8-6-12(2)10-16(14)15/h10,13-17H,5-9,11H2,1-4H3/t13-,14+,15-,16+,17?/m1/s1
InChIKey HCYXKIZPGLVYHM-VPEURPPWSA-N
Mol Weight 310.5 g/mol
Molecular Formula C18H30O2S
Exact Mass 310.196651 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FkaMqtx1mft
Name 2-[(1R,4R,4aS,8aS)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]-3-(ethylthio)propanoic acid methyl ester
Alternate Name(s) 2-[(1R,4R,4aS,8aS)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]-3-(ethylthio)propionic acid methyl ester Methyl 2-[(1R,4R,4aS,8aS)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]-3-ethylsulfanyl-propanoate
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Formula C18H30O2S
InChI InChI=1S/C18H30O2S/c1-5-21-11-17(18(19)20-4)15-9-7-13(3)14-8-6-12(2)10-16(14)15/h10,13-17H,5-9,11H2,1-4H3/t13-,14+,15-,16+,17?/m1/s1
InChIKey HCYXKIZPGLVYHM-VPEURPPWSA-N
Molecular Weight 310.496 g/mol
SMILES [C@@]12([C@](C(C(=O)OC)CSCC)(CC[C@]([C@@]2(CCC(=C1)C)[H])(C)[H])[H])[H]
SPLASH splash10-03di-0911000000-8023a754375d5054fa93
Source of Spectrum G4-64-1204-8
Wiley ID 1609203