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2-Pyridinecarboxylic acid, 6-ethoxy-4-hexyl-1,4,5,6-tetrahydro-1-(methylsulfonyl)-, ethyl ester, cis-
SpectraBase Compound ID I751JqFLTJB
InChI InChI=1S/C17H31NO5S/c1-5-8-9-10-11-14-12-15(17(19)23-7-3)18(24(4,20)21)16(13-14)22-6-2/h12,14,16H,5-11,13H2,1-4H3/t14-,16-/m0/s1
InChIKey NHOPNAYOWNKRNB-HOCLYGCPSA-N
Mol Weight 361.5 g/mol
Molecular Formula C17H31NO5S
Exact Mass 361.192294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5oXKMaKqQmL
Name 2-Pyridinecarboxylic acid, 6-ethoxy-4-hexyl-1,4,5,6-tetrahydro-1-(methylsulfonyl)-, ethyl ester, cis-
CAS Registry Number 132646-90-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H31NO5S
InChI InChI=1S/C17H31NO5S/c1-5-8-9-10-11-14-12-15(17(19)23-7-3)18(24(4,20)21)16(13-14)22-6-2/h12,14,16H,5-11,13H2,1-4H3/t14-,16-/m0/s1
InChIKey NHOPNAYOWNKRNB-HOCLYGCPSA-N
Molecular Weight 361.497 g/mol
SMILES C=1(N([C@](C[C@](C1)(CCCCCC)[H])(OCC)[H])S(=O)(=O)C)C(=O)OCC
SPLASH splash10-0f79-1490000000-ecd64de128bd72c9308a
Source of Spectrum C-113-1724-22
Synonyms (2R*,4S*)-1-(methylsufonyl)-2-ethoxy-4-n-hexyl-6-(ethoxycarbonyl)-1,2,3,4-hydropyridine Ethyl (4R,6S)-6-ethoxy-4-hexyl-1-(methylsulfonyl)-1,4,5,6-tetrahydro-2-pyridinecarboxylate
Wiley ID 1348899