| SpectraBase Spectrum ID |
34O5gaW8sbL |
| Name |
[((Trifluoromethyl)diazirinyl)phenyl] Thioacetal Dicarboxylic Fatty Acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C33H51F3N2O4S2 |
| InChI |
InChI=1S/C33H51F3N2O4S2/c34-33(35,36)32(37-38-32)28-23-21-27(22-24-28)31(43-25-17-13-9-5-1-3-7-11-15-19-29(39)40)44-26-18-14-10-6-2-4-8-12-16-20-30(41)42/h21-24,31H,1-20,25-26H2,(H,39,40)(H,41,42) |
| InChIKey |
XXXPPWVASQXUGU-UHFFFAOYSA-N |
| Molecular Weight |
660.896 g/mol |
| SMILES |
OC(CCCCCCCCCCCSC(SCCCCCCCCCCCC(=O)O)c1ccc(C2(N=N2)C(F)(F)F)cc1)=O |
| SPLASH |
splash10-0f72-8590500000-7729cf6bfd3b1bc278c7 |
| Source of Spectrum |
C-115-3472-9 |
| Synonyms |
12-[([(11-carboxyundecyl)sulfanyl]{4-[3-(trifluoromethyl)-3H-diazirin-3-yl]phenyl}methyl)sulfanyl]dodecanoic acid |
| Wiley ID |
1413566 |
![[((Trifluoromethyl)diazirinyl)phenyl] Thioacetal Dicarboxylic Fatty Acid](/api/spectrum/34O5gaW8sbL/structure.png?h=300&w=458 "[((Trifluoromethyl)diazirinyl)phenyl] Thioacetal Dicarboxylic Fatty Acid")
