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2-(Benzyl)-1-(2-iodophenyl)-2,3,4,9-tetrahydro-1H-.beta.-carboline-3-carboxylic acid methyl ester
SpectraBase Compound ID GOSBU1LAGkK
InChI InChI=1S/C26H23IN2O2/c1-31-26(30)23-15-20-18-11-6-8-14-22(18)28-24(20)25(19-12-5-7-13-21(19)27)29(23)16-17-9-3-2-4-10-17/h2-14,23,25,28H,15-16H2,1H3/t23-,25+/m0/s1
InChIKey QKFREROWPIXBRY-UKILVPOCSA-N
Mol Weight 522.39 g/mol
Molecular Formula C26H23IN2O2
Exact Mass 522.080423 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8eazBWjRgy9
Name 2-(Benzyl)-1-(2-iodophenyl)-2,3,4,9-tetrahydro-1H-.beta.-carboline-3-carboxylic acid methyl ester
Alternate Name(s) (1R,3S)-2-Benzyl-1-(2-iodo-phenyl)-2,3,4,9-tetrahydro-1H-.beta.-carboline-3-carboxylic acid methyl ester Methyl 2-benzyl-1-(2-iodophenyl)-2,3,4,9-tetrahydro-1H-.beta.-carboline-3-carboxylate
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Formula C26H23IN2O2
InChI InChI=1S/C26H23IN2O2/c1-31-26(30)23-15-20-18-11-6-8-14-22(18)28-24(20)25(19-12-5-7-13-21(19)27)29(23)16-17-9-3-2-4-10-17/h2-14,23,25,28H,15-16H2,1H3/t23-,25+/m0/s1
InChIKey QKFREROWPIXBRY-UKILVPOCSA-N
Molecular Weight 522.386 g/mol
SMILES [nH]1c2ccccc2c2c1[C@](N([C@@](C2)(C(=O)OC)[H])Cc1ccccc1)(c1c(I)cccc1)[H]
SPLASH splash10-02al-4050910000-bfca0d24881be64e7ec8
Source of Spectrum F-56-6592-12
Wiley ID 858204