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[(1S,6S)-6-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl]cyclohex-3-en-1-yl]methyl ethanoate
SpectraBase Compound ID IN5IVakUI4G
InChI InChI=1S/C21H26N2O3/c1-15(24)26-14-18-7-3-2-6-16(18)12-21(25)22-11-10-17-13-23-20-9-5-4-8-19(17)20/h2-5,8-9,13,16,18,23H,6-7,10-12,14H2,1H3,(H,22,25)/t16-,18+/m0/s1
InChIKey IZZVSISKPAMPIA-FUHWJXTLSA-N
Mol Weight 354.45 g/mol
Molecular Formula C21H26N2O3
Exact Mass 354.194343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KfX5Yw1dUtU
Name [(1S,6S)-6-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl]cyclohex-3-en-1-yl]methyl ethanoate
Alternate Name(s) [(1S,6S)-6-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxo-ethyl]cyclohex-3-en-1-yl]methyl acetate Acetic acid [(1S,6S)-6-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-1-cyclohex-3-enyl]methyl ester [(1S,6S)-6-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]cyclohex-3-en-1-yl]methyl acetate
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Formula C21H26N2O3
InChI InChI=1S/C21H26N2O3/c1-15(24)26-14-18-7-3-2-6-16(18)12-21(25)22-11-10-17-13-23-20-9-5-4-8-19(17)20/h2-5,8-9,13,16,18,23H,6-7,10-12,14H2,1H3,(H,22,25)/t16-,18+/m0/s1
InChIKey IZZVSISKPAMPIA-FUHWJXTLSA-N
Molecular Weight 354.450 g/mol
SMILES [nH]1c2c(c(CCNC(C[C@]3([C@@](COC(=O)C)(CC=CC3)[H])[H])=O)c1)cccc2
SPLASH splash10-0006-0900000000-1624a182582d4f62306e
Source of Spectrum J-60-2510-8
Wiley ID 1344785