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Dihydrocapsaicine HFB
SpectraBase Compound ID K43VdxCR0Em
InChI InChI=1S/C22H28F7NO4/c1-14(2)8-6-4-5-7-9-18(32)30(13-15-10-11-16(31)17(12-15)34-3)19(33)20(23,24)21(25,26)22(27,28)29/h10-12,14,31H,4-9,13H2,1-3H3
InChIKey FQKJYCCBLPPXRD-UHFFFAOYSA-N
Mol Weight 503.46 g/mol
Molecular Formula C22H28F7NO4
Exact Mass 503.190656 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 69C5JOrvbA7
Name Dihydrocapsaicine HFB
Classification Biomolecule in pepper spray
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Exact Mass 503.190655523 u
Formula C22H28F7NO4
InChI InChI=1S/C22H28F7NO4/c1-14(2)8-6-4-5-7-9-18(32)30(13-15-10-11-16(31)17(12-15)34-3)19(33)20(23,24)21(25,26)22(27,28)29/h10-12,14,31H,4-9,13H2,1-3H3
InChIKey FQKJYCCBLPPXRD-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 503.458 g/mol
SMILES c1(cc(c(cc1)O)OC)CN(C(=O)CCCCCCC(C)C)C(=O)C(C(C(F)(F)F)(F)F)(F)F
SPLASH splash10-000t-4409100000-c1478e6ffccc0af8325d
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_5931