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Glutaric acid, myrtenyl 1,1,1-trifluoroprop-2-yl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Glutaric acid, myrtenyl 1,1,1-trifluoroprop-2-yl ester
SpectraBase Compound ID Ap0xeFxp4Jt
InChI InChI=1S/C18H25F3O4/c1-11(18(19,20)21)25-16(23)6-4-5-15(22)24-10-12-7-8-13-9-14(12)17(13,2)3/h7,11,13-14H,4-6,8-10H2,1-3H3
InChIKey KDPBABZVCVHWMJ-UHFFFAOYSA-N
Mol Weight 362.39 g/mol
Molecular Formula C18H25F3O4
Exact Mass 362.170494 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kzv4gJyd86s
Name Glutaric acid, myrtenyl 1,1,1-trifluoroprop-2-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 362.170493770 u
Formula C18H25F3O4
InChI InChI=1S/C18H25F3O4/c1-11(18(19,20)21)25-16(23)6-4-5-15(22)24-10-12-7-8-13-9-14(12)17(13,2)3/h7,11,13-14H,4-6,8-10H2,1-3H3
InChIKey KDPBABZVCVHWMJ-UHFFFAOYSA-N
Molecular Weight 362.389 g/mol
SMILES C(CCC(OC(C)C(F)(F)F)=O)C(OCC=1C2C(C(CC1)C2)(C)C)=O