![Ethyl [(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]acetate](/api/spectrum/EkRE8jl6YXe/structure.png?h=300&w=458 "Ethyl [(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]acetate")
| SpectraBase Compound ID | HZ2yY83mvXl |
|---|---|
| InChI | InChI=1S/C16H20N2O2S/c1-2-20-15(19)11-21-16-13(10-17)9-12-7-5-3-4-6-8-14(12)18-16/h9H,2-8,11H2,1H3 |
| InChIKey | RRNNSODFPSJECN-UHFFFAOYSA-N |
| Mol Weight | 304.41 g/mol |
| Molecular Formula | C16H20N2O2S |
| Exact Mass | 304.124549 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EkRE8jl6YXe |
|---|---|
| Name | Ethyl [(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]acetate |
| Alternate Name(s) | 2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio]acetic acid ethyl ester Acetic acid, 2-(5,6,7,8,9,10-hexahydro-3-cyanocyclocta[b]pyrid-2-yl)thio-, ethyl ester Ethyl 2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]acetate Ethyl 2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]ethanoate |
| CAS Registry Number | 166113-82-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H20N2O2S |
| InChI | InChI=1S/C16H20N2O2S/c1-2-20-15(19)11-21-16-13(10-17)9-12-7-5-3-4-6-8-14(12)18-16/h9H,2-8,11H2,1H3 |
| InChIKey | RRNNSODFPSJECN-UHFFFAOYSA-N |
| Molecular Weight | 304.408 g/mol |
| SMILES | C1CCCc2c(nc(c(C#N)c2)SCC(=O)OCC)CC1 |
| SPLASH | splash10-001i-4490000000-a2e04c74754bd3a1d6e3 |
| Source of Spectrum | AD-0-2532-0 |
| Wiley ID | 1419650 |