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Grepafloxacin -CO2
SpectraBase Compound ID 91XgsG1Z1hq
InChI InChI=1S/C18H22FN3O/c1-11-10-21(8-6-20-11)15-9-14-17(12(2)18(15)19)16(23)5-7-22(14)13-3-4-13/h5,7,9,11,13,20H,3-4,6,8,10H2,1-2H3
InChIKey YEVDIGUIBCHBQO-UHFFFAOYSA-N
Mol Weight 315.39 g/mol
Molecular Formula C18H22FN3O
Exact Mass 315.174691 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JgISCV9pbHc
Name Grepafloxacin -CO2
Classification Antibiotic
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 315.174690502 u
Formula C18H22N3OF
InChI InChI=1S/C18H22FN3O/c1-11-10-21(8-6-20-11)15-9-14-17(12(2)18(15)19)16(23)5-7-22(14)13-3-4-13/h5,7,9,11,13,20H,3-4,6,8,10H2,1-2H3
InChIKey YEVDIGUIBCHBQO-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 315.392 g/mol
Related CAS Registry Number(s) 119914-60-2
SMILES c1(N2CCNC(C2)C)c(c(c2C(C=CN(c2c1)C1CC1)=O)C)F
SPLASH splash10-0a4i-2491000000-9354c144bffa5da47bd7
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_7738