| SpectraBase Spectrum ID |
GztgifpN9wx |
| Name |
7-(4'-Methoxy-3'-sulfonylbenzylidene-4,5,6,7-tetrahydro-3-(trifluoromethyl)-1,2-benz-isoxazol-1-ium - inner salt |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H14F3NO5S |
| InChI |
InChI=1S/C16H14F3NO5S/c1-24-12-6-5-9(8-13(12)26(21,22)23)7-10-3-2-4-11-14(10)20-25-15(11)16(17,18)19/h5-8H,2-4H2,1H3,(H,21,22,23)/b10-7+ |
| InChIKey |
ORTSCLUZEMMFFE-JXMROGBWSA-N |
| Molecular Weight |
389.345 g/mol |
| SMILES |
[nH+]1c2c(c(o1)C(F)(F)F)CCC\C2=C\c1cc(S([O-])(=O)=O)c(cc1)OC |
| SPLASH |
splash10-000i-0009000000-49a5a084c9707d00025c |
| Source of Spectrum |
H-85-1966-7 |
| Wiley ID |
1524349 |
