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[(1S,6S)-6-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl]cyclohex-3-en-1-yl]methyl benzoate
SpectraBase Compound ID JJgsjE3nliY
InChI InChI=1S/C26H28N2O3/c29-25(27-15-14-21-17-28-24-13-7-6-12-23(21)24)16-20-10-4-5-11-22(20)18-31-26(30)19-8-2-1-3-9-19/h1-9,12-13,17,20,22,28H,10-11,14-16,18H2,(H,27,29)/t20-,22+/m0/s1
InChIKey RBONTKRMWXPGRC-RBBKRZOGSA-N
Mol Weight 416.52 g/mol
Molecular Formula C26H28N2O3
Exact Mass 416.209993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID INZnNEFNbdx
Name [(1S,6S)-6-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl]cyclohex-3-en-1-yl]methyl benzoate
Alternate Name(s) [(1S,6S)-6-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxo-ethyl]cyclohex-3-en-1-yl]methyl benzoate benzoic 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 benzoate
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Formula C26H28N2O3
InChI InChI=1S/C26H28N2O3/c29-25(27-15-14-21-17-28-24-13-7-6-12-23(21)24)16-20-10-4-5-11-22(20)18-31-26(30)19-8-2-1-3-9-19/h1-9,12-13,17,20,22,28H,10-11,14-16,18H2,(H,27,29)/t20-,22+/m0/s1
InChIKey RBONTKRMWXPGRC-RBBKRZOGSA-N
Molecular Weight 416.521 g/mol
SMILES [nH]1c2c(c(CCNC(C[C@]3([C@@](COC(=O)c4ccccc4)(CC=CC3)[H])[H])=O)c1)cccc2
SPLASH splash10-0536-0900000000-af5f0c196f8034c08322
Source of Spectrum J-60-2510-9
Wiley ID 1376538