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(3-Trifluoromethyl-5,6,7,8-tetrahydro-4H-cycloheptapyrazol-1-yl)acetic acid
SpectraBase Compound ID Afs36PEgpGV
InChI InChI=1S/C11H13F3N2O2/c12-11(13,14)10-7-4-2-1-3-5-8(7)16(15-10)6-9(17)18/h1-6H2,(H,17,18)
InChIKey DFMVUFNGENZIPQ-UHFFFAOYSA-N
Mol Weight 262.23 g/mol
Molecular Formula C11H13F3N2O2
Exact Mass 262.092912 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JkERILAhrSF
Name (3-Trifluoromethyl-5,6,7,8-tetrahydro-4H-cycloheptapyrazol-1-yl)acetic acid
Alternate Name(s) 2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-1-yl]acetic acid 2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-1-yl]ethanoic acid
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Formula C11H13F3N2O2
InChI InChI=1S/C11H13F3N2O2/c12-11(13,14)10-7-4-2-1-3-5-8(7)16(15-10)6-9(17)18/h1-6H2,(H,17,18)
InChIKey DFMVUFNGENZIPQ-UHFFFAOYSA-N
Molecular Weight 262.232 g/mol
SMILES OC(C[n]1nc(c2c1CCCCC2)C(F)(F)F)=O
SPLASH splash10-02t9-3490000000-605141e4461731a279a9
Wiley ID 1441993