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Naratriptan HFB
SpectraBase Compound ID 1QHbaerR6CD
InChI InChI=1S/C21H24F7N3O3S/c1-29-35(33,34)10-7-13-3-4-17-15(11-13)16(14-5-8-30(2)9-6-14)12-31(17)18(32)19(22,23)20(24,25)21(26,27)28/h3-4,11-12,14,29H,5-10H2,1-2H3
InChIKey METCQFVXXFOLKI-UHFFFAOYSA-N
Mol Weight 531.49 g/mol
Molecular Formula C21H24F7N3O3S
Exact Mass 531.14266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LQneD7hs3VG
Name Naratriptan HFB
Classification Antimigraine
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 531.142659957 u
Formula C21H24N3O3SF7
InChI InChI=1S/C21H24F7N3O3S/c1-29-35(33,34)10-7-13-3-4-17-15(11-13)16(14-5-8-30(2)9-6-14)12-31(17)18(32)19(22,23)20(24,25)21(26,27)28/h3-4,11-12,14,29H,5-10H2,1-2H3
InChIKey METCQFVXXFOLKI-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 531.490 g/mol
SMILES C(C(C(C([n]1cc(c2cc(CCS(=O)(NC)=O)ccc12)C1CCN(CC1)C)=O)(F)F)(F)F)(F)(F)F
SPLASH splash10-00di-9201030000-9d10ac1321faede327fa
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_7507