| SpectraBase Compound ID | LVPUly0nkL7 |
|---|---|
| InChI | InChI=1S/C15H18N2O3S/c1-3-10(2)20-14(19)9-8-13(18)17-15-16-11-6-4-5-7-12(11)21-15/h4-7,10H,3,8-9H2,1-2H3,(H,16,17,18) |
| InChIKey | HRJVMOIQRIYHCK-UHFFFAOYSA-N |
| Mol Weight | 306.38 g/mol |
| Molecular Formula | C15H18N2O3S |
| Exact Mass | 306.103814 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 59oRDqBe1ZE |
|---|---|
| Name | sec-Butyl 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.103813619 u |
| Formula | C15H18N2O3S |
| InChI | InChI=1S/C15H18N2O3S/c1-3-10(2)20-14(19)9-8-13(18)17-15-16-11-6-4-5-7-12(11)21-15/h4-7,10H,3,8-9H2,1-2H3,(H,16,17,18) |
| InChIKey | HRJVMOIQRIYHCK-UHFFFAOYSA-N |
| SMILES | N(C1=NC=2C=CC=CC2S1)C(=O)CCC(=O)OC(CC)C |