[((Trifluoromethyl)diazirinyl)phenyl] Thioacetal Dicarboxylic Fatty Acid

SpectraBase Compound ID	HFwnYlyMnty
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 Google Search
Mol Weight	660.9 g/mol
Molecular Formula	C33H51F3N2O4S2
Exact Mass	660.324235 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	34O5gaW8sbL
Name	[((Trifluoromethyl)diazirinyl)phenyl] Thioacetal Dicarboxylic Fatty Acid
Alternate Name(s)	12-[([(11-carboxyundecyl)sulfanyl]{4-[3-(trifluoromethyl)-3H-diazirin-3-yl]phenyl}methyl)sulfanyl]dodecanoic 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
Wiley ID	1413566