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5-keto-2-methyl-4-(5-methyl-2-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid phenethyl ester

View entire compound with spectra: 2 NMR, and 2 MS (GC)

5-keto-2-methyl-4-(5-methyl-2-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid phenethyl ester
SpectraBase Compound ID BGbKoa6a5FD
InChI InChI=1S/C24H25NO3S/c1-15-11-12-20(29-15)23-21(16(2)25-18-9-6-10-19(26)22(18)23)24(27)28-14-13-17-7-4-3-5-8-17/h3-5,7-8,11-12,23,25H,6,9-10,13-14H2,1-2H3
InChIKey HROXMZIJALWCGQ-UHFFFAOYSA-N
Mol Weight 407.53 g/mol
Molecular Formula C24H25NO3S
Exact Mass 407.155515 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9jDt0dOREnx
Name 5-Keto-2-methyl-4-(5-methyl-2-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid phenethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 407.155514840 u
Formula C24H25NO3S
InChI InChI=1S/C24H25NO3S/c1-15-11-12-20(29-15)23-21(16(2)25-18-9-6-10-19(26)22(18)23)24(27)28-14-13-17-7-4-3-5-8-17/h3-5,7-8,11-12,23,25H,6,9-10,13-14H2,1-2H3
InChIKey HROXMZIJALWCGQ-UHFFFAOYSA-N
Molecular Weight 407.528 g/mol
SMILES C=1(C(C=2C(=O)CCCC2NC1C)C=1SC(C)=CC1)C(=O)OCCC=1C=CC=CC1