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Succinic acid, 2-methylhex-3-yl 4-trifluoromethoxybenzyl ester

View entire compound with spectra: 1 NMR

Succinic acid, 2-methylhex-3-yl 4-trifluoromethoxybenzyl ester
SpectraBase Compound ID 6yuFMj85N0P
InChI InChI=1S/C19H25F3O5/c1-4-5-16(13(2)3)26-18(24)11-10-17(23)25-12-14-6-8-15(9-7-14)27-19(20,21)22/h6-9,13,16H,4-5,10-12H2,1-3H3
InChIKey IJKQCMGRQGZFKS-UHFFFAOYSA-N
Mol Weight 390.4 g/mol
Molecular Formula C19H25F3O5
Exact Mass 390.165408 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KpHv5AxmTTw
Name Succinic acid, 2-methylhex-3-yl 4-trifluoromethoxybenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 390.165408389 u
Formula C19H25F3O5
InChI InChI=1S/C19H25F3O5/c1-4-5-16(13(2)3)26-18(24)11-10-17(23)25-12-14-6-8-15(9-7-14)27-19(20,21)22/h6-9,13,16H,4-5,10-12H2,1-3H3
InChIKey IJKQCMGRQGZFKS-UHFFFAOYSA-N
Molecular Weight 390.399 g/mol
SMILES C(CCC(OCC1=CC=C(OC(F)(F)F)C=C1)=O)(OC(CCC)C(C)C)=O