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Propicillin MEAC
SpectraBase Compound ID ElrPbSQlO2L
InChI InChI=1S/C21H26N2O6S/c1-6-14(29-13-10-8-7-9-11-13)17(25)22(12(2)24)15-18(26)23-16(20(27)28-5)21(3,4)30-19(15)23/h7-11,14-16,19H,6H2,1-5H3
InChIKey BDWXUTQOSLCROO-UHFFFAOYSA-N
Mol Weight 434.51 g/mol
Molecular Formula C21H26N2O6S
Exact Mass 434.151158 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K9hB4HUzdLw
Name Propicillin MEAC
Classification Antibiotic
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Exact Mass 434.151157733 u
Formula C21H26N2O6S
InChI InChI=1S/C21H26N2O6S/c1-6-14(29-13-10-8-7-9-11-13)17(25)22(12(2)24)15-18(26)23-16(20(27)28-5)21(3,4)30-19(15)23/h7-11,14-16,19H,6H2,1-5H3
InChIKey BDWXUTQOSLCROO-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 434.507 g/mol
Related CAS Registry Number(s) 551-27-9
SMILES C(=O)(N(C1C(N2C1SC(C2C(=O)OC)(C)C)=O)C(=O)C)C(Oc1ccccc1)CC
SPLASH splash10-0006-6900000000-4657ec3547a4a65edae5
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_8468