For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Grepafloxacin TMS
SpectraBase Compound ID 20P8w35BVhP
InChI InChI=1S/C22H30FN3O3Si/c1-13-11-25(9-8-24-13)18-10-17-19(14(2)20(18)23)21(27)16(12-26(17)15-6-7-15)22(28)29-30(3,4)5/h10,12-13,15,24H,6-9,11H2,1-5H3
InChIKey JFGNEMJTQCAGDP-UHFFFAOYSA-N
Mol Weight 431.58 g/mol
Molecular Formula C22H30FN3O3Si
Exact Mass 431.204047 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 6CG2KZqD7Hj
Name Grepafloxacin TMS
Classification Antibiotic
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 431.204046533 u
Formula C22H30N3O3FSi
InChI InChI=1S/C22H30FN3O3Si/c1-13-11-25(9-8-24-13)18-10-17-19(14(2)20(18)23)21(27)16(12-26(17)15-6-7-15)22(28)29-30(3,4)5/h10,12-13,15,24H,6-9,11H2,1-5H3
InChIKey JFGNEMJTQCAGDP-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 431.583 g/mol
Related CAS Registry Number(s) 119914-60-2
SMILES c1(cc2N(C3CC3)C=C(C(c2c(C)c1F)=O)C(O[Si](C)(C)C)=O)N1CC(NCC1)C
SPLASH splash10-0059-2249400000-a8954f53a2fbd0dfde62
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_7735