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1H-Indole-2-acetic acid, 3-[2-(3,4-dihydro-4-oxo-1(2H)-pyridinyl)ethyl]-.alpha.-(2,2-dimethylpropyl)-, methyl ester, (.+-.)-

View entire compound with spectra: 1 MS (GC)

1H-Indole-2-acetic acid, 3-[2-(3,4-dihydro-4-oxo-1(2H)-pyridinyl)ethyl]-.alpha.-(2,2-dimethylpropyl)-, methyl ester, (.+-.)-
SpectraBase Compound ID JPcLeBY84mq
InChI InChI=1S/C23H30N2O3/c1-23(2,3)15-19(22(27)28-4)21-18(17-7-5-6-8-20(17)24-21)11-14-25-12-9-16(26)10-13-25/h5-9,12,19,24H,10-11,13-15H2,1-4H3
InChIKey KWJGZLHFFUJCEH-UHFFFAOYSA-N
Mol Weight 382.5 g/mol
Molecular Formula C23H30N2O3
Exact Mass 382.225643 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7H7e8nXZrx7
Name 1H-Indole-2-acetic acid, 3-[2-(3,4-dihydro-4-oxo-1(2H)-pyridinyl)ethyl]-.alpha.-(2,2-dimethylpropyl)-, methyl ester, (.+-.)-
Alternate Name(s) Desethyl-17-tert-butyl-16,17,15,20-tetrahydro-15-oxo-20,21-didehydrosecodine Methyl 4,4-dimethyl-2-{3-[2-(4-oxo-3,4-dihydro-1(2H)-pyridinyl)ethyl]-1H-indol-2-yl}pentanoate
CAS Registry Number 103027-30-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H30N2O3
InChI InChI=1S/C23H30N2O3/c1-23(2,3)15-19(22(27)28-4)21-18(17-7-5-6-8-20(17)24-21)11-14-25-12-9-16(26)10-13-25/h5-9,12,19,24H,10-11,13-15H2,1-4H3
InChIKey KWJGZLHFFUJCEH-UHFFFAOYSA-N
Molecular Weight 382.504 g/mol
SMILES [nH]1c2ccccc2c(c1C(C(=O)OC)CC(C)(C)C)CCN1C=CC(CC1)=O
SPLASH splash10-0ab9-7961000000-356a09435f2170e54df2
Source of Spectrum J-51-2926-46
Wiley ID 1360714