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Triflupromazine-M (nor-HO-) 2AC
SpectraBase Compound ID 9jOfeAkruXB
InChI InChI=1S/C21H21F3N2O3S/c1-13(27)25(3)9-4-10-26-17-11-15(21(22,23)24)5-7-19(17)30-20-8-6-16(12-18(20)26)29-14(2)28/h5-8,11-12H,4,9-10H2,1-3H3
InChIKey RKHNOPCXYOYWJZ-UHFFFAOYSA-N
Mol Weight 438.47 g/mol
Molecular Formula C21H21F3N2O3S
Exact Mass 438.122498 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8XFaaYGHrf5
Name Triflupromazine-M (nor-HO-) 2AC
Classification Neuroleptic
Comments Structure comment: Wiggly bond = unknown position of substituent
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Exact Mass 438.122498204 u
Formula C21H21F3N2O3S
InChI InChI=1S/C21H21F3N2O3S/c1-13(27)25(3)9-4-10-26-17-11-15(21(22,23)24)5-7-19(17)30-20-8-6-16(12-18(20)26)29-14(2)28/h5-8,11-12H,4,9-10H2,1-3H3
InChIKey RKHNOPCXYOYWJZ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 438.465 g/mol
SMILES c12Sc3c(N(c1cc(cc2)OC(C)=O)CCCN(C(C)=O)C)cc(cc3)C(F)(F)F
SPLASH splash10-03di-3942100000-2dccb13fc04a2d5fa075
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.
Sample Preparation Procedure Detected: U+UHYAC
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_1301