![S-2-[N-(cyclohex-1'-enyl)butyramido]phenyl thiopropionate](/api/spectrum/J7YSHnLCdcJ/structure.png?h=300&w=458 "S-2-[N-(cyclohex-1'-enyl)butyramido]phenyl thiopropionate")
| SpectraBase Compound ID | GZxATFlFuCp |
|---|---|
| InChI | InChI=1S/C19H25NO2S/c1-2-19(22)23-17-13-7-6-9-15(17)10-8-14-18(21)20-16-11-4-3-5-12-16/h6-7,9,11,13H,2-5,8,10,12,14H2,1H3,(H,20,21) |
| InChIKey | XKEOZPCMJOZHIA-UHFFFAOYSA-N |
| Mol Weight | 331.47 g/mol |
| Molecular Formula | C19H25NO2S |
| Exact Mass | 331.1606 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | J7YSHnLCdcJ |
|---|---|
| Name | S-2-[N-(Cyclohex-1'-enyl)butyramido]phenyl thiopropionate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.160600221 u |
| Formula | C19H25NO2S |
| InChI | InChI=1S/C19H25NO2S/c1-2-19(22)23-17-13-7-6-9-15(17)10-8-14-18(21)20-16-11-4-3-5-12-16/h6-7,9,11,13H,2-5,8,10,12,14H2,1H3,(H,20,21) |
| InChIKey | XKEOZPCMJOZHIA-UHFFFAOYSA-N |
| Molecular Weight | 331.474 g/mol |
| SMILES | C1(SC(=O)CC)=C(CCCC(NC2=CCCCC2)=O)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.803963 |