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Dihydrocapsaicin, o-heptafluorobutyryl-

View entire compound with spectra: 1 NMR

Dihydrocapsaicin, o-heptafluorobutyryl-
SpectraBase Compound ID 6CF4CRiNYsI
InChI InChI=1S/C22H28F7NO4/c1-14(2)8-6-4-5-7-9-18(31)30-13-15-10-11-16(17(12-15)33-3)34-19(32)20(23,24)21(25,26)22(27,28)29/h10-12,14H,4-9,13H2,1-3H3,(H,30,31)
InChIKey XMFLKZAAVZSFNM-UHFFFAOYSA-N
Mol Weight 503.46 g/mol
Molecular Formula C22H28F7NO4
Exact Mass 503.190656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9GJSYrglR2C
Name Dihydrocapsaicin, o-heptafluorobutyryl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 503.190655523 u
Formula C22H28F7NO4
InChI InChI=1S/C22H28F7NO4/c1-14(2)8-6-4-5-7-9-18(31)30-13-15-10-11-16(17(12-15)33-3)34-19(32)20(23,24)21(25,26)22(27,28)29/h10-12,14H,4-9,13H2,1-3H3,(H,30,31)
InChIKey XMFLKZAAVZSFNM-UHFFFAOYSA-N
Molecular Weight 503.458 g/mol
SMILES C1=C(C(=CC=C1CNC(CCCCCCC(C)C)=O)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC