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4-Quinolinecarboxylic acid, 1-(2,2-dimethyl-1-oxopropyl)-1,2,3,4-tetrahydro-2-hydroxy-4-phenyl-, methyl ester

View entire compound with spectra: 1 MS (GC)

4-Quinolinecarboxylic acid, 1-(2,2-dimethyl-1-oxopropyl)-1,2,3,4-tetrahydro-2-hydroxy-4-phenyl-, methyl ester
SpectraBase Compound ID St5SMbAF2n
InChI InChI=1S/C22H25NO4/c1-21(2,3)19(25)23-17-13-9-8-12-16(17)22(14-18(23)24,20(26)27-4)15-10-6-5-7-11-15/h5-13,18,24H,14H2,1-4H3
InChIKey SBBQJWBKVAVIJC-UHFFFAOYSA-N
Mol Weight 367.45 g/mol
Molecular Formula C22H25NO4
Exact Mass 367.178358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hst5gVmk07x
Name 4-Quinolinecarboxylic acid, 1-(2,2-dimethyl-1-oxopropyl)-1,2,3,4-tetrahydro-2-hydroxy-4-phenyl-, methyl ester
CAS Registry Number 85852-22-8
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25NO4
InChI InChI=1S/C22H25NO4/c1-21(2,3)19(25)23-17-13-9-8-12-16(17)22(14-18(23)24,20(26)27-4)15-10-6-5-7-11-15/h5-13,18,24H,14H2,1-4H3
InChIKey SBBQJWBKVAVIJC-UHFFFAOYSA-N
Molecular Weight 367.445 g/mol
SMILES OC1N(c2c(cccc2)C(C1)(C(=O)OC)c1ccccc1)C(C(C)(C)C)=O
SPLASH splash10-0a4i-0090000000-4122b4f349eb7c780fd4
Source of Spectrum I-61-518-42
Synonyms Methyl 1,2,3,4-tetrahydro-2-hydroxy-4-phenyl-1-pivaloyl-4-quinolinecarboxylate methyl 1-(2,2-dimethylpropanoyl)-2-hydroxy-4-phenyl-1,2,3,4-tetrahydro-4-quinolinecarboxylate
Wiley ID 1352620