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

*Links on SpectraBase are not permalinks.
Flucloxacilline
SpectraBase Compound ID 1S5CCNLCwdN
InChI InChI=1S/C19H17ClFN3O5S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28)
InChIKey UIOFUWFRIANQPC-UHFFFAOYSA-N
Mol Weight 453.87 g/mol
Molecular Formula C19H17ClFN3O5S
Exact Mass 453.056148 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 B1IzgUdtad6
Name Flucloxacilline
CAS Registry Number 5250-39-5
Classification Antibiotic
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 453.056147691 u
Formula C19H17N3O5FClS
InChI InChI=1S/C19H17ClFN3O5S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28)
InChIKey UIOFUWFRIANQPC-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 453.872 g/mol
SMILES c1(-c2c(C(NC3C(N4C(C(SC34)(C)C)C(=O)O)=O)=O)c(C)on2)c(cccc1Cl)F
SPLASH splash10-0002-3910000000-745aa3ce3b3767ebfc08
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_8161