| SpectraBase Spectrum ID |
CrlvEnx6lDh |
| Name |
Butanoic acid, 2-nitro-4-(phenylthio)-, 2,4,6-tris(1,1-dimethylethyl)phenyl ester |
| CAS Registry Number |
113719-12-3 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H39NO4S |
| InChI |
InChI=1S/C28H39NO4S/c1-26(2,3)19-17-21(27(4,5)6)24(22(18-19)28(7,8)9)33-25(30)23(29(31)32)15-16-34-20-13-11-10-12-14-20/h10-14,17-18,23H,15-16H2,1-9H3 |
| InChIKey |
TZVOMCGXVLECCW-UHFFFAOYSA-N |
| Molecular Weight |
485.683 g/mol |
| SMILES |
CC(c1c(OC(C(CCSc2ccccc2)N(=O)=O)=O)c(cc(c1)C(C)(C)C)C(C)(C)C)(C)C |
| SPLASH |
splash10-00di-1190000000-8c26890777a8a8b5a58f |
| Source of Spectrum |
H-70-1513-14 |
| Synonyms |
2,4,6-Tritert-butylphenyl 2-nitro-4-(phenylsulfanyl)butanoate
2-Nitro-4-(phenylthio)butanoic acid (2,4,6-tritert-butylphenyl) ester
2-Nitro-4-(phenylthio)butyric acid (2,4,6-tritert-butylphenyl) ester
(2,4,6-tritert-butylphenyl) 2-nitro-4-phenylsulfanylbutanoate |
| Wiley ID |
1396296 |
