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1-(1S,2S)-[[1-[(Benzoyloxy)methyl]cyclohex-4-en-2-yl]methyl]-3,4-dihydro-9H-pyrido[3,4-b]indole
SpectraBase Compound ID Hg4XwPHn6D8
InChI InChI=1S/C26H26N2O2/c29-26(18-8-2-1-3-9-18)30-17-20-11-5-4-10-19(20)16-24-25-22(14-15-27-24)21-12-6-7-13-23(21)28-25/h1-9,12-13,19-20,28H,10-11,14-17H2/t19-,20+/m0/s1
InChIKey OIRGODDPEXDYIV-VQTJNVASSA-N
Mol Weight 398.51 g/mol
Molecular Formula C26H26N2O2
Exact Mass 398.199428 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Adeirf9IqVh
Name 1-(1S,2S)-[[1-[(Benzoyloxy)methyl]cyclohex-4-en-2-yl]methyl]-3,4-dihydro-9H-pyrido[3,4-b]indole
Alternate Name(s) [(1S,6S)-6-(4,9-dihydro-3H-.beta.-carbolin-1-ylmethyl)-3-cyclohexen-1-yl]methyl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H26N2O2
InChI InChI=1S/C26H26N2O2/c29-26(18-8-2-1-3-9-18)30-17-20-11-5-4-10-19(20)16-24-25-22(14-15-27-24)21-12-6-7-13-23(21)28-25/h1-9,12-13,19-20,28H,10-11,14-17H2/t19-,20+/m0/s1
InChIKey OIRGODDPEXDYIV-VQTJNVASSA-N
Molecular Weight 398.506 g/mol
SMILES [nH]1c2ccccc2c2c1C(=NCC2)C[C@]1([C@@](COC(=O)c2ccccc2)(CC=CC1)[H])[H]
SPLASH splash10-05i0-0790000000-d8505f609807c34f165b
Source of Spectrum J-60-2511-11
Wiley ID 1368647