| SpectraBase Spectrum ID |
IQS1OI0IqxW |
| Name |
3-(4-tert-Butylphenyl)-2-isoxazole-4-carboxylic acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H17NO3 |
| InChI |
InChI=1S/C14H17NO3/c1-14(2,3)10-6-4-9(5-7-10)12-11(13(16)17)8-18-15-12/h4-7,11H,8H2,1-3H3,(H,16,17) |
| InChIKey |
LOEKHBRVXLYOPG-UHFFFAOYSA-N |
| Molecular Weight |
247.294 g/mol |
| SMILES |
OC(C1C(=NOC1)c1ccc(C(C)(C)C)cc1)=O |
| SPLASH |
splash10-001i-0090000000-9b0aceabbda6edb255ca |
| Source of Spectrum |
QE-12-8578-24 |
| Synonyms |
3-(4-tert-butylphenyl)-4,5-dihydro-4-isoxazolecarboxylic acid |
| Wiley ID |
1587384 |
