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acetic acid [(3aR,7aR)-1-(benzyl)-6-keto-2,3,7,7a-tetrahydroindol-3a-yl]methyl ester
SpectraBase Compound ID E6RN4IjBuyA
InChI InChI=1S/C18H21NO3/c1-14(20)22-13-18-8-7-16(21)11-17(18)19(10-9-18)12-15-5-3-2-4-6-15/h2-8,17H,9-13H2,1H3/t17-,18-/m1/s1
InChIKey RMRBYVMQIXJHDB-QZTJIDSGSA-N
Mol Weight 299.37 g/mol
Molecular Formula C18H21NO3
Exact Mass 299.152144 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HKAheX1lwwi
Name acetic acid [(3aR,7aR)-1-(benzyl)-6-keto-2,3,7,7a-tetrahydroindol-3a-yl]methyl ester
Compound Number 25
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Formula C18H21NO3
InChI InChI=1S/C18H21NO3/c1-14(20)22-13-18-8-7-16(21)11-17(18)19(10-9-18)12-15-5-3-2-4-6-15/h2-8,17H,9-13H2,1H3/t17-,18-/m1/s1
InChIKey RMRBYVMQIXJHDB-QZTJIDSGSA-N
Literature Reference Author Y.S.JUNG,W.H.SWARTZ,W.XU,P.S.MARIANO,N.J.GREEN,A.G.SCHULTZ
Literature Reference Citation J.ORG.CHEM.,57,6037(1992)
Literature Reference DOI 10.1021/jo00048a046
Molecular Weight 299.370 g/mol
Solvent CDCl3
Source File Reference UWCS3406