| SpectraBase Compound ID | 5Md8SpsIavz |
|---|---|
| InChI | InChI=1S/C16H19NO4S/c1-22-11-21-14(18)9-3-2-6-10-17-15(19)12-7-4-5-8-13(12)16(17)20/h4-5,7-8H,2-3,6,9-11H2,1H3 |
| InChIKey | ANMVNPGLORXBNV-UHFFFAOYSA-N |
| Mol Weight | 321.39 g/mol |
| Molecular Formula | C16H19NO4S |
| Exact Mass | 321.103479 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CrFDyxp84wW |
|---|---|
| Name | 6-(1,3-Dioxo-2-isoindolyl)hexanoic acid (methylthio)methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 321.103479266 u |
| Formula | C16H19NO4S |
| InChI | InChI=1S/C16H19NO4S/c1-22-11-21-14(18)9-3-2-6-10-17-15(19)12-7-4-5-8-13(12)16(17)20/h4-5,7-8H,2-3,6,9-11H2,1H3 |
| InChIKey | ANMVNPGLORXBNV-UHFFFAOYSA-N |
| Molecular Weight | 321.391 g/mol |
| SMILES | C(CCCCCN1C(=O)C=2C(C1=O)=CC=CC2)(=O)OCSC |