| SpectraBase Compound ID | 4Ox59J1F3ml |
|---|---|
| InChI | InChI=1S/C15H21NO4S/c1-12(2)6-4-5-11-20-15(17)16-21(18,19)14-9-7-13(3)8-10-14/h4-5,7-10,12H,6,11H2,1-3H3,(H,16,17)/b5-4+ |
| InChIKey | QZTGBKAQODRBRB-SNAWJCMRSA-N |
| Mol Weight | 311.4 g/mol |
| Molecular Formula | C15H21NO4S |
| Exact Mass | 311.119129 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ExFMgwYphNG |
|---|---|
| Name | (E)-5-Methylhex-2-en-1-yl tosylcarbamate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.119129330 u |
| Formula | C15H21NO4S |
| InChI | InChI=1S/C15H21NO4S/c1-12(2)6-4-5-11-20-15(17)16-21(18,19)14-9-7-13(3)8-10-14/h4-5,7-10,12H,6,11H2,1-3H3,(H,16,17)/b5-4+ |
| InChIKey | QZTGBKAQODRBRB-SNAWJCMRSA-N |
| Molecular Weight | 311.396 g/mol |
| SMILES | C(OC(=O)NS(C1=CC=C(C=C1)C)(=O)=O)\C=C\CC(C)C |