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Clindamycin 3AC
SpectraBase Compound ID 2Wo4F0czfLH
InChI InChI=1S/C24H39ClN2O8S/c1-8-9-16-10-17(27(6)11-16)23(31)26-18(12(2)25)19-20(32-13(3)28)21(33-14(4)29)22(34-15(5)30)24(35-19)36-7/h12,16-22,24H,8-11H2,1-7H3,(H,26,31)
InChIKey UPDAHNDTZSNKSX-UHFFFAOYSA-N
Mol Weight 551.1 g/mol
Molecular Formula C24H39ClN2O8S
Exact Mass 550.211565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ay27pXknFiJ
Name Clindamycin 3AC
Classification Antibiotic
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 550.211565090 u
Formula C24H39ClN2O8S
InChI InChI=1S/C24H39ClN2O8S/c1-8-9-16-10-17(27(6)11-16)23(31)26-18(12(2)25)19-20(32-13(3)28)21(33-14(4)29)22(34-15(5)30)24(35-19)36-7/h12,16-22,24H,8-11H2,1-7H3,(H,26,31)
InChIKey UPDAHNDTZSNKSX-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 551.095 g/mol
SMILES C1(C(C(C(OC(=O)C)C(O1)SC)OC(=O)C)OC(=O)C)C(NC(C1N(CC(C1)CCC)C)=O)C(Cl)C
SPLASH splash10-016r-6811910000-f9c2cc5050f4fd3e9e4d
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.
Sample Preparation Procedure Detected: U+UHYAC
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_4479