| SpectraBase Compound ID | BHDNx4NCimp |
|---|---|
| InChI | InChI=1S/C12H20N2O2S/c1-3-5-6-7-9(11(15)16-4-2)10-8-17-12(13)14-10/h8-9H,3-7H2,1-2H3,(H2,13,14) |
| InChIKey | VHIRBCCEDHQOHQ-UHFFFAOYSA-N |
| Mol Weight | 256.36 g/mol |
| Molecular Formula | C12H20N2O2S |
| Exact Mass | 256.124549 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Hr92h11Wcxo |
|---|---|
| Name | Ethyl 2-(2-amino-4-thiazolyl)heptanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.124549064 u |
| Formula | C12H20N2O2S |
| InChI | InChI=1S/C12H20N2O2S/c1-3-5-6-7-9(11(15)16-4-2)10-8-17-12(13)14-10/h8-9H,3-7H2,1-2H3,(H2,13,14) |
| InChIKey | VHIRBCCEDHQOHQ-UHFFFAOYSA-N |
| SMILES | C1(=CSC(=N1)N)C(CCCCC)C(OCC)=O |