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(1R,3S)-Methyl 1-(3-benzoyloxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
SpectraBase Compound ID 4rHg1iCrC1B
InChI InChI=1S/C26H22N2O4/c1-31-26(30)22-15-20-19-12-5-6-13-21(19)27-24(20)23(28-22)17-10-7-11-18(14-17)32-25(29)16-8-3-2-4-9-16/h2-14,22-23,27-28H,15H2,1H3/t22-,23+/m0/s1
InChIKey CTMRUOGEAWNCJH-XZOQPEGZSA-N
Mol Weight 426.47 g/mol
Molecular Formula C26H22N2O4
Exact Mass 426.157957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ZQfOzQKARs
Name (1R,3S)-Methyl 1-(3-benzoyloxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
Alternate Name(s) trans-(1R,3S)-Methyl 1-(3-(benzoyloxy)phenyl)-1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indole-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H22N2O4
InChI InChI=1S/C26H22N2O4/c1-31-26(30)22-15-20-19-12-5-6-13-21(19)27-24(20)23(28-22)17-10-7-11-18(14-17)32-25(29)16-8-3-2-4-9-16/h2-14,22-23,27-28H,15H2,1H3/t22-,23+/m0/s1
InChIKey CTMRUOGEAWNCJH-XZOQPEGZSA-N
Molecular Weight 426.472 g/mol
SMILES [nH]1c2ccccc2c2c1[C@](N[C@@](C2)(C(=O)OC)[H])(c1cc(OC(=O)c2ccccc2)ccc1)[H]
SPLASH splash10-004i-1631900000-0c6aab268c924ed39a02
Source of Spectrum QC-22-1869-2a
Wiley ID 1691492