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(phenylmethyl) 2-[(3-cyano-4-ethyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]ethanoate
SpectraBase Compound ID 46khRu2PuNf
InChI InChI=1S/C23H26N2O2S/c1-2-18-19-12-8-3-4-9-13-21(19)25-23(20(18)14-24)28-16-22(26)27-15-17-10-6-5-7-11-17/h5-7,10-11H,2-4,8-9,12-13,15-16H2,1H3
InChIKey LQBGSZWYVPWCLA-UHFFFAOYSA-N
Mol Weight 394.53 g/mol
Molecular Formula C23H26N2O2S
Exact Mass 394.171499 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EHoIqcxXQ0M
Name (phenylmethyl) 2-[(3-cyano-4-ethyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]ethanoate
Alternate Name(s) 2-[(3-cyano-4-ethyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio]acetic acid (phenylmethyl) ester 2-[(3-cyano-4-ethyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio]acetic acid benzyl ester benzyl 2-[(3-cyano-4-ethyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]acetate
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Formula C23H26N2O2S
InChI InChI=1S/C23H26N2O2S/c1-2-18-19-12-8-3-4-9-13-21(19)25-23(20(18)14-24)28-16-22(26)27-15-17-10-6-5-7-11-17/h5-7,10-11H,2-4,8-9,12-13,15-16H2,1H3
InChIKey LQBGSZWYVPWCLA-UHFFFAOYSA-N
Molecular Weight 394.533 g/mol
SMILES c1(c(nc2c(c1CC)CCCCCC2)SCC(=O)OCc1ccccc1)C#N
SPLASH splash10-0a4l-4292000000-361be609a7164838829d
Wiley ID 1455026