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Clindamycine
SpectraBase Compound ID 15ZeDwcwMuf
InChI InChI=1S/C18H33ClN2O5S/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25)/t9?,10-,11+,12?,13+,14-,15-,16-,18-/m1/s1
InChIKey KDLRVYVGXIQJDK-NOWPCOIGSA-N
Mol Weight 425.0 g/mol
Molecular Formula C18H33ClN2O5S
Exact Mass 424.179871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JGEEPPKtYBc
Name Clindamycine
CAS Registry Number 18323-44-9
Classification Pharmaceutical drug, antibiotic
Comments Spectrum verified by crosschecking against external libraries (three reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 424.179871040 u
Formula C18H33ClN2O5S
InChI InChI=1S/C18H33ClN2O5S/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25)/t9?,10-,11+,12?,13+,14-,15-,16-,18-/m1/s1
InChIKey KDLRVYVGXIQJDK-NOWPCOIGSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 424.984 g/mol
Nominal Mass 424 u
Quality 997
Retention Index 3165
SMILES O[C@]1([C@](O[C@@]([C@@]([C@@]1(O)[H])(O)[H])(C(NC([C@]1(N(C[C@@](C1)(CCC)[H])C)[H])=O)C(Cl)C)[H])(SC)[H])[H]
SPLASH splash10-004i-3900000000-1a67caba76da5c7350c6
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N-[2-chloro-1-(3,4,5-trihydroxy-6-methylsulfanyl-oxan-2-yl)propyl]-1-methyl-4-propyl-pyrrolidine-\r2-carboxamide
Technique GC/MS
Wiley ID DD2024_032455