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Dihydrocapsaicine TFA
SpectraBase Compound ID IaU5Ap01SwW
InChI InChI=1S/C20H28F3NO4/c1-14(2)8-6-4-5-7-9-18(26)24(19(27)20(21,22)23)13-15-10-11-16(25)17(12-15)28-3/h10-12,14,25H,4-9,13H2,1-3H3
InChIKey YDHXJBPTBONJEF-UHFFFAOYSA-N
Mol Weight 403.44 g/mol
Molecular Formula C20H28F3NO4
Exact Mass 403.197043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bui8MVPvcul
Name Dihydrocapsaicine TFA
Classification Biomolecule in pepper spray
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Exact Mass 403.197042871 u
Formula C20H28F3NO4
InChI InChI=1S/C20H28F3NO4/c1-14(2)8-6-4-5-7-9-18(26)24(19(27)20(21,22)23)13-15-10-11-16(25)17(12-15)28-3/h10-12,14,25H,4-9,13H2,1-3H3
InChIKey YDHXJBPTBONJEF-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 403.442 g/mol
SMILES c1(cc(c(cc1)O)OC)CN(C(=O)CCCCCCC(C)C)C(=O)C(F)(F)F
SPLASH splash10-000t-3591000000-7b759bbce9e844b7be5a
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_5929