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Methyl (1S,2S,3S)-1-[benzyl((S)1'-phenylethyl)amino]-3-[(methoxycarbonyl)methyl]-2-indanecarboxylate
SpectraBase Compound ID KWuqWoVKSkD
InChI InChI=1S/C29H31NO4/c1-20(22-14-8-5-9-15-22)30(19-21-12-6-4-7-13-21)28-24-17-11-10-16-23(24)25(18-26(31)33-2)27(28)29(32)34-3/h4-17,20,25,27-28H,18-19H2,1-3H3/t20-,25+,27-,28+/m0/s1
InChIKey JPQHCOTXSMAVAL-OLVGDHEJSA-N
Mol Weight 457.57 g/mol
Molecular Formula C29H31NO4
Exact Mass 457.225308 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 28Qb88Yp2hW
Name Methyl (1S,2S,3S)-1-[benzyl((S)1'-phenylethyl)amino]-3-[(methoxycarbonyl)methyl]-2-indanecarboxylate
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Formula C29H31NO4
InChI InChI=1S/C29H31NO4/c1-20(22-14-8-5-9-15-22)30(19-21-12-6-4-7-13-21)28-24-17-11-10-16-23(24)25(18-26(31)33-2)27(28)29(32)34-3/h4-17,20,25,27-28H,18-19H2,1-3H3/t20-,25+,27-,28+/m0/s1
InChIKey JPQHCOTXSMAVAL-OLVGDHEJSA-N
Molecular Weight 457.570 g/mol
SMILES [C@@]1([C@](N([C@](c2ccccc2)(C)[H])Cc2ccccc2)(c2ccccc2[C@]1(CC(=O)OC)[H])[H])(C(=O)OC)[H]
SPLASH splash10-014m-3973300000-313b90e46d925931aabb
Source of Spectrum U-1996-907-15
Synonyms Methyl (1S,2S,3S)-1-{benzyl[(1S)-1-phenylethyl]amino}-3-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-indene-2-carboxylate Methyl 1-[benzyl(1'-phenylethyl)amino]-3-[(methoxycarbonyl)methyl]-2,3,4,5,6,7-hexahydro-2-indanecarboxylate Methyl 1-[benzyl(1'-phenylethyl)amino]-3-[(methoxycarbonyl)methyl]-2-indanecarboxylate
Wiley ID 768588