| SpectraBase Spectrum ID |
9sK4nfM3KU4 |
| Name |
(R)-3-(4-Tert-butylphenyl)-5-methyl-2-isoxazole-5-carboxylic acid |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
261.136493473 u |
| Formula |
C15H19NO3 |
| InChI |
InChI=1S/C15H19NO3/c1-14(2,3)11-7-5-10(6-8-11)12-9-15(4,13(17)18)19-16-12/h5-8H,9H2,1-4H3,(H,17,18)/t15-/m1/s1 |
| InChIKey |
KXKXOUKSTPQYQT-OAHLLOKOSA-N |
| Molecular Weight |
261.321 g/mol |
| SMILES |
[C@@]1(ON=C(C1)C=1C=CC(C(C)(C)C)=CC1)(C(=O)O)C |
