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1H-Pyrido[3,4-b]indole-3-carboxylic acid, 2,3,4,9-tetrahydro-2-(1-methylethoxy)-1-phenyl-, ethyl ester, trans-
SpectraBase Compound ID CQpf1viFnTc
InChI InChI=1S/C23H26N2O3/c1-4-27-23(26)20-14-18-17-12-8-9-13-19(17)24-21(18)22(25(20)28-15(2)3)16-10-6-5-7-11-16/h5-13,15,20,22,24H,4,14H2,1-3H3/t20-,22+/m1/s1
InChIKey FLZNSHNSCXDTMN-IRLDBZIGSA-N
Mol Weight 378.47 g/mol
Molecular Formula C23H26N2O3
Exact Mass 378.194343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 86kUd1sBIvz
Name 1H-Pyrido[3,4-b]indole-3-carboxylic acid, 2,3,4,9-tetrahydro-2-(1-methylethoxy)-1-phenyl-, ethyl ester, trans-
Alternate Name(s) Ethyl (1S,3R)-2-isopropoxy-1-phenyl-2,3,4,9-tetrahydro-1H-.beta.-carboline-3-carboxylate trans-1-phenyl-2-isopropoxy-3-ethoxycarbonyl-1,2,3,4-tetrahydro.beta.-carboline
CAS Registry Number 129169-26-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H26N2O3
InChI InChI=1S/C23H26N2O3/c1-4-27-23(26)20-14-18-17-12-8-9-13-19(17)24-21(18)22(25(20)28-15(2)3)16-10-6-5-7-11-16/h5-13,15,20,22,24H,4,14H2,1-3H3/t20-,22+/m1/s1
InChIKey FLZNSHNSCXDTMN-IRLDBZIGSA-N
Molecular Weight 378.472 g/mol
SMILES [nH]1c2ccccc2c2c1[C@@](N([C@](C2)(C(=O)OCC)[H])OC(C)C)(c1ccccc1)[H]
SPLASH splash10-014i-0096000000-543e87af14e84a0a7a6a
Source of Spectrum F-46-845-7
Wiley ID 1358948