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L-Valine, N-(3,4-difluorobenzoyl)-, hexyl ester

View entire compound with spectra: 1 NMR

L-Valine, N-(3,4-difluorobenzoyl)-, hexyl ester
SpectraBase Compound ID Fz8jtCo2ctp
InChI InChI=1S/C18H25F2NO3/c1-4-5-6-7-10-24-18(23)16(12(2)3)21-17(22)13-8-9-14(19)15(20)11-13/h8-9,11-12,16H,4-7,10H2,1-3H3,(H,21,22)
InChIKey BGFSWVAPVWARIS-UHFFFAOYSA-N
Mol Weight 341.4 g/mol
Molecular Formula C18H25F2NO3
Exact Mass 341.18025 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5bG2wqPH3zC
Name L-Valine, N-(3,4-difluorobenzoyl)-, hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 341.180249992 u
Formula C18H25F2NO3
InChI InChI=1S/C18H25F2NO3/c1-4-5-6-7-10-24-18(23)16(12(2)3)21-17(22)13-8-9-14(19)15(20)11-13/h8-9,11-12,16H,4-7,10H2,1-3H3,(H,21,22)
InChIKey BGFSWVAPVWARIS-UHFFFAOYSA-N
Molecular Weight 341.399 g/mol
SMILES C1(=C(C=C(C=C1)C(NC(C(C)C)C(=O)OCCCCCC)=O)F)F