| SpectraBase Spectrum ID |
7cHC8nNYYBj |
| Name |
5-Benzofuranol, 2,3-dihydro-3,3-dimethyl-2-(4-nitrophenoxy)-, methanesulfonate (ester) |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
379.072573058 u |
| Formula |
C17H17NO7S |
| InChI |
InChI=1S/C17H17NO7S/c1-17(2)14-10-13(25-26(3,21)22)8-9-15(14)24-16(17)23-12-6-4-11(5-7-12)18(19)20/h4-10,16H,1-3H3 |
| InChIKey |
AGWSVJNLWYONGW-UHFFFAOYSA-N |
| Molecular Weight |
379.383 g/mol |
| SMILES |
CC1(C)C(OC2=CC=C(C=C2)N(=O)=O)OC2=C1C=C(C=C2)OS(C)(=O)=O |
