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

*Links on SpectraBase are not permalinks.
Sulfaguanole ME
SpectraBase Compound ID JKQBlNmd5kX
InChI InChI=1S/C13H17N5O3S/c1-8-9(2)21-13(16-8)17-12(15)18(3)22(19,20)11-6-4-10(14)5-7-11/h4-7H,14H2,1-3H3,(H2,15,16,17)
InChIKey XJALPNZGKCKBRO-UHFFFAOYSA-N
Mol Weight 323.37 g/mol
Molecular Formula C13H17N5O3S
Exact Mass 323.105211 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 5QNDinTnylM
Name Sulfaguanole ME
Classification Antibiotic
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 323.105210598 u
Formula C13H17N5O3S
InChI InChI=1S/C13H17N5O3S/c1-8-9(2)21-13(16-8)17-12(15)18(3)22(19,20)11-6-4-10(14)5-7-11/h4-7H,14H2,1-3H3,(H2,15,16,17)
InChIKey XJALPNZGKCKBRO-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 323.371 g/mol
Related CAS Registry Number(s) 27031-08-9
SMILES c1(NC(N(S(=O)(=O)c2ccc(cc2)N)C)=N)nc(c(o1)C)C
SPLASH splash10-0zmi-5693000000-3e81a996410a8b71c7f0
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_3153