| SpectraBase Compound ID | 1Qro2OHYGkb |
|---|---|
| InChI | InChI=1S/C17H25NO3S/c1-4-5-6-13-7-9-14(10-8-13)16(19)18-15(11-12-22-3)17(20)21-2/h7-10,15H,4-6,11-12H2,1-3H3,(H,18,19) |
| InChIKey | SJJIHHULPKXKSB-UHFFFAOYSA-N |
| Mol Weight | 323.45 g/mol |
| Molecular Formula | C17H25NO3S |
| Exact Mass | 323.155515 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 53MtqHG1feT |
|---|---|
| Name | L-Methionine, N-(4-butylbenzoyl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 323.155514840 u |
| Formula | C17H25NO3S |
| InChI | InChI=1S/C17H25NO3S/c1-4-5-6-13-7-9-14(10-8-13)16(19)18-15(11-12-22-3)17(20)21-2/h7-10,15H,4-6,11-12H2,1-3H3,(H,18,19) |
| InChIKey | SJJIHHULPKXKSB-UHFFFAOYSA-N |
| Molecular Weight | 323.451 g/mol |
| SMILES | CCCCC1=CC=C(C=C1)C(=O)NC(CCSC)C(OC)=O |