| SpectraBase Compound ID | 7pxu8JtK842 |
|---|---|
| InChI | InChI=1S/C10H11NO4S/c1-16(13,14)6-9-7-4-2-3-5-8(7)11-10(12)15-9/h2-5,9H,6H2,1H3,(H,11,12) |
| InChIKey | SSNKWAWTYKDIDW-UHFFFAOYSA-N |
| Mol Weight | 241.26 g/mol |
| Molecular Formula | C10H11NO4S |
| Exact Mass | 241.040879 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | goXE9t485K |
|---|---|
| Name | 4-(Mesylmethyl)-1,4-dihydro-3,1-benzoxazin-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 241.040879008 u |
| Formula | C10H11NO4S |
| InChI | InChI=1S/C10H11NO4S/c1-16(13,14)6-9-7-4-2-3-5-8(7)11-10(12)15-9/h2-5,9H,6H2,1H3,(H,11,12) |
| InChIKey | SSNKWAWTYKDIDW-UHFFFAOYSA-N |
| Molecular Weight | 241.261 g/mol |
| SMILES | C(S(=O)(=O)C)C1OC(=O)NC=2C1=CC=CC2 |