| SpectraBase Compound ID | 15BfKat6EGD |
|---|---|
| InChI | InChI=1S/C12H17NO4S/c1-7-6-9(8(2)17-7)11(14)13-10(12(15)16)4-5-18-3/h6,10H,4-5H2,1-3H3,(H,13,14)(H,15,16) |
| InChIKey | JDNKBRXLSMAACT-UHFFFAOYSA-N |
| Mol Weight | 271.33 g/mol |
| Molecular Formula | C12H17NO4S |
| Exact Mass | 271.087829 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KoZpIlPrqVU |
|---|---|
| Name | N-(2,5-Dimethyl-3-furoyl)(methyl)homocysteine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.087829201 u |
| Formula | C12H17NO4S |
| InChI | InChI=1S/C12H17NO4S/c1-7-6-9(8(2)17-7)11(14)13-10(12(15)16)4-5-18-3/h6,10H,4-5H2,1-3H3,(H,13,14)(H,15,16) |
| InChIKey | JDNKBRXLSMAACT-UHFFFAOYSA-N |
| Molecular Weight | 271.331 g/mol |
| SMILES | N(C(C1=C(OC(=C1)C)C)=O)C(C(=O)O)CCSC |