For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1.2,4-tris[alpha.-Methoxy, .alpha.-(trifluoromethyl)phenylacetyl]-1,2,4-butanetriol
SpectraBase Compound ID 7M45kTttekX
InChI InChI=1S/C34H31F9O9/c1-47-29(32(35,36)37,22-13-7-4-8-14-22)26(44)50-20-19-25(52-28(46)31(49-3,34(41,42)43)24-17-11-6-12-18-24)21-51-27(45)30(48-2,33(38,39)40)23-15-9-5-10-16-23/h4-18,25H,19-21H2,1-3H3
InChIKey DEBZQKYNBMZVTL-UHFFFAOYSA-N
Mol Weight 754.6 g/mol
Molecular Formula C34H31F9O9
Exact Mass 754.182436 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 71lbqHShFhh
Name 1.2,4-tris[alpha.-Methoxy, .alpha.-(trifluoromethyl)phenylacetyl]-1,2,4-butanetriol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H31F9O9
InChI InChI=1S/C34H31F9O9/c1-47-29(32(35,36)37,22-13-7-4-8-14-22)26(44)50-20-19-25(52-28(46)31(49-3,34(41,42)43)24-17-11-6-12-18-24)21-51-27(45)30(48-2,33(38,39)40)23-15-9-5-10-16-23/h4-18,25H,19-21H2,1-3H3
InChIKey DEBZQKYNBMZVTL-UHFFFAOYSA-N
Molecular Weight 754.599 g/mol
SMILES C(C(OC(COC(C(C(F)(F)F)(c1ccccc1)OC)=O)CCOC(C(C(F)(F)F)(c1ccccc1)OC)=O)=O)(C(F)(F)F)(c1ccccc1)OC
SPLASH splash10-000i-1900010000-240f37ad768b3b0360d7
Source of Spectrum C-124-8844-S/11-OMTP
Wiley ID 1700855