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2-[(2S,3S,4R)-1-formyl-2-(1H-indol-3-yl)-3-methyl-4-piperidinyl]acetic acid methyl ester
SpectraBase Compound ID 86sKjZtvCPk
InChI InChI=1S/C18H22N2O3/c1-12-13(9-17(22)23-2)7-8-20(11-21)18(12)15-10-19-16-6-4-3-5-14(15)16/h3-6,10-13,18-19H,7-9H2,1-2H3/t12-,13+,18-/m0/s1
InChIKey MRYDIWGLZUDMJA-JCGVRSQUSA-N
Mol Weight 314.38 g/mol
Molecular Formula C18H22N2O3
Exact Mass 314.163043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CAKK7F8WC4F
Name 2-[(2S,3S,4R)-1-formyl-2-(1H-indol-3-yl)-3-methyl-4-piperidinyl]acetic acid methyl ester
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Formula C18H22N2O3
InChI InChI=1S/C18H22N2O3/c1-12-13(9-17(22)23-2)7-8-20(11-21)18(12)15-10-19-16-6-4-3-5-14(15)16/h3-6,10-13,18-19H,7-9H2,1-2H3/t12-,13+,18-/m0/s1
InChIKey MRYDIWGLZUDMJA-JCGVRSQUSA-N
Molecular Weight 314.385 g/mol
SMILES [nH]1c2c(c(c1)[C@]1(N(C=O)CC[C@@]([C@@]1(C)[H])(CC(=O)OC)[H])[H])cccc2
SPLASH splash10-001i-3953000000-14e9c535e42962c36151
Source of Spectrum F-47-5597-19
Synonyms 2-[(2S,3S,4R)-1-formyl-2-(1H-indol-3-yl)-3-methyl-4-piperidyl]acetic acid methyl ester Methyl 2-[(2S,3S,4R)-1-formyl-2-(1H-indol-3-yl)-3-methyl-4-piperidyl]acetate Methyl 2-[(2S,3S,4R)-1-formyl-2-(1H-indol-3-yl)-3-methylpiperidin-4-yl]acetate Methyl 2-[(2S,3S,4R)-2-(1H-indol-3-yl)-1-methanoyl-3-methyl-piperidin-4-yl]ethanoate
Wiley ID 1315153