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Pentamidine
SpectraBase Compound ID AgNVfuzSKkT
InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
InChIKey XDRYMKDFEDOLFX-UHFFFAOYSA-N
Mol Weight 340.43 g/mol
Molecular Formula C19H24N4O2
Exact Mass 340.189926 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KRw2WFJr0YF
Name Pentamidine
CAS Registry Number 100-33-4
Classification Antibiotic
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 340.189926027 u
Formula C19H24N4O2
InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
InChIKey XDRYMKDFEDOLFX-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 340.427 g/mol
SMILES c1(ccc(C(=N)N)cc1)OCCCCCOc1ccc(C(N)=N)cc1
SPLASH splash10-014i-9600000000-ae7e167ff2555ec969d4
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_1948