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4-Pyridinecarboxylic acid, 2-hexyl-1,2,3,4-tetrahydro-1-(phenylsulfonyl)-, ethyl ester, cis-
SpectraBase Compound ID FWMcnxvLb42
InChI InChI=1S/C20H29NO4S/c1-3-5-6-8-11-18-16-17(20(22)25-4-2)14-15-21(18)26(23,24)19-12-9-7-10-13-19/h7,9-10,12-15,17-18H,3-6,8,11,16H2,1-2H3/t17-,18-/m0/s1
InChIKey HSRYRNIBPJYLFT-ROUUACIJSA-N
Mol Weight 379.52 g/mol
Molecular Formula C20H29NO4S
Exact Mass 379.18173 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Crs5kFNfmxN
Name 4-Pyridinecarboxylic acid, 2-hexyl-1,2,3,4-tetrahydro-1-(phenylsulfonyl)-, ethyl ester, cis-
Alternate Name(s) (2R(*),4S(*))-4-(ethoxycarbonyl)-2-n-hexyl-1-(phenylsulfonyl)-1,2,3,4-tetrahydropyridine Ethyl (2S,4R)-2-hexyl-1-(phenylsulfonyl)-1,2,3,4-tetrahydro-4-pyridinecarboxylate
CAS Registry Number 132647-02-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H29NO4S
InChI InChI=1S/C20H29NO4S/c1-3-5-6-8-11-18-16-17(20(22)25-4-2)14-15-21(18)26(23,24)19-12-9-7-10-13-19/h7,9-10,12-15,17-18H,3-6,8,11,16H2,1-2H3/t17-,18-/m0/s1
InChIKey HSRYRNIBPJYLFT-ROUUACIJSA-N
Molecular Weight 379.515 g/mol
SMILES C=1N(S(=O)(=O)c2ccccc2)[C@](C[C@](C1)(C(=O)OCC)[H])(CCCCCC)[H]
SPLASH splash10-0560-9011000000-c22eaa6d939c19d59d7d
Source of Spectrum C-113-1729-49
Wiley ID 1359249