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Grepafloxacin 2ME
SpectraBase Compound ID H7Kc7bEr7Ll
InChI InChI=1S/C21H26FN3O3/c1-12-10-24(8-7-23(12)3)17-9-16-18(13(2)19(17)22)20(26)15(21(27)28-4)11-25(16)14-5-6-14/h9,11-12,14H,5-8,10H2,1-4H3
InChIKey IEGBHJKLOVRGDM-UHFFFAOYSA-N
Mol Weight 387.46 g/mol
Molecular Formula C21H26FN3O3
Exact Mass 387.19582 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9sc95mupSYc
Name Grepafloxacin 2ME
Classification Antibiotic
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 387.195819869 u
Formula C21H26N3O3F
InChI InChI=1S/C21H26FN3O3/c1-12-10-24(8-7-23(12)3)17-9-16-18(13(2)19(17)22)20(26)15(21(27)28-4)11-25(16)14-5-6-14/h9,11-12,14H,5-8,10H2,1-4H3
InChIKey IEGBHJKLOVRGDM-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 387.455 g/mol
Related CAS Registry Number(s) 119914-60-2
SMILES c1(c(F)c(C)c2C(C(=CN(c2c1)C1CC1)C(OC)=O)=O)N1CC(N(CC1)C)C
SPLASH splash10-0670-6459000000-47c444fd122986718f16
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_7734