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Sumatriptan
SpectraBase Compound ID 13xXDDQ8vnn
InChI InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3
InChIKey KQKPFRSPSRPDEB-UHFFFAOYSA-N
Mol Weight 295.4 g/mol
Molecular Formula C14H21N3O2S
Exact Mass 295.135448 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7G0CFazicx2
Name Sumatriptan
Alternate Name(s) Imitrex 1-(3-(2-(dimethylamino)ethyl)-1H-indol-5-yl)-N-methylmethanesulfonamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H21N3O2S
InChI InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3
InChIKey KQKPFRSPSRPDEB-UHFFFAOYSA-N
Molecular Weight 295.401 g/mol
SMILES [nH]1cc(c2c1ccc(CS(=O)(NC)=O)c2)CCN(C)C
SPLASH splash10-0a4i-9100000000-e9b38c5ba14f31b307a9
Source of Spectrum SWG-33-1788-0
Wiley ID 1809378