Product Code

TRC-N900100

Product Format

Neat

Molecular Formula

C57H100NO8P.C2HF3O2

Molecular Weight

1072.42

Product Categories

TRC, Dye and Metabolite Reference Materials, Pharmaceutical Toxicology Reference Materials

Product Type

Metabolite

Alternate CAS Number

Free Base: 30576-47-7

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

NRPE Trifluoroacetic Acid Salt (Technical Grade)

Molecular Formula

C57H100NO8P.C2HF3O2

Molecular Weight

1072.42

Accurate Mass

1071.71

SMILES

CC(/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C)=C\C=N\CCOP(O)(OCC(OC(CCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O)=O.O=C(O)C(F)(F)F

InChI

InChI=1S/C57H100NO8P.C2HF3O2/c1-8-10-12-14-16-18-20-22-24-26-28-30-32-39-55(59)63-48-53(66-56(60)40-33-31-29-27-25-23-21-19-17-15-13-11-9-2)49-65-67(61,62)64-47-46-58-45-43-51(4)37-34-36-50(3)41-42-54-52(5)38-35-44-57(54,6)7;3-2(4,5)1(6)7/h34,36-37,41-43,45,53H,8-33,35,38-40,44,46-49H2,1-7H3,(H,61,62);(H,6,7)/b37-34+,42-41+,50-36+,51-43+,58-45+;

Alternate CAS Number

Free Base: 30576-47-7

Product Data

Storage Temperature

-86°C

Shipping Temperature

Dry ice

Country of Origin

CANADA

Product Format

Neat

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NRPE Trifluoroacetic Acid Salt (Technical Grade)

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