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Grepafloxacin ME
SpectraBase Compound ID DgjTOA9ulxZ
InChI InChI=1S/C20H24FN3O3/c1-11-9-23(7-6-22-11)16-8-15-17(12(2)18(16)21)19(25)14(20(26)27-3)10-24(15)13-4-5-13/h8,10-11,13,22H,4-7,9H2,1-3H3
InChIKey YLQXMTPXATUDEN-UHFFFAOYSA-N
Mol Weight 373.43 g/mol
Molecular Formula C20H24FN3O3
Exact Mass 373.18017 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1E15LeoXlA
Name Grepafloxacin ME
Classification Antibiotic
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 373.180169805 u
Formula C20H24N3O3F
InChI InChI=1S/C20H24FN3O3/c1-11-9-23(7-6-22-11)16-8-15-17(12(2)18(16)21)19(25)14(20(26)27-3)10-24(15)13-4-5-13/h8,10-11,13,22H,4-7,9H2,1-3H3
InChIKey YLQXMTPXATUDEN-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 373.428 g/mol
Related CAS Registry Number(s) 119914-60-2
SMILES c1(c(F)c(c2C(C(=CN(c2c1)C1CC1)C(OC)=O)=O)C)N1CC(NCC1)C
SPLASH splash10-01b9-5349000000-124459a444b5ce915f09
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_7733