| SpectraBase Compound ID | 3XJ6wuX1iBo |
|---|---|
| InChI | InChI=1S/C12H17NO3S/c1-9(2)8-16-11(14)7-13(3)12(15)10-5-4-6-17-10/h4-6,9H,7-8H2,1-3H3 |
| InChIKey | LNIXBQAZRSFNTG-UHFFFAOYSA-N |
| Mol Weight | 255.33 g/mol |
| Molecular Formula | C12H17NO3S |
| Exact Mass | 255.092915 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DyYcYt0AIfx |
|---|---|
| Name | Sarcosine, N-(2-thienylcarbonyl)-, isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.092914582 u |
| Formula | C12H17NO3S |
| InChI | InChI=1S/C12H17NO3S/c1-9(2)8-16-11(14)7-13(3)12(15)10-5-4-6-17-10/h4-6,9H,7-8H2,1-3H3 |
| InChIKey | LNIXBQAZRSFNTG-UHFFFAOYSA-N |
| Molecular Weight | 255.332 g/mol |
| SMILES | CC(COC(CN(C(=O)C1=CC=CS1)C)=O)C |