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(4S*,6R*)-1-Methyl-6-acetoxy-4-acetoxymethyl-4-(phenylthio)azacyclooctane-5-one

View entire compound with spectra: 1 MS (GC)

(4S*,6R*)-1-Methyl-6-acetoxy-4-acetoxymethyl-4-(phenylthio)azacyclooctane-5-one
SpectraBase Compound ID GPF8zIRXak8
InChI InChI=1S/C19H25NO5S/c1-14(21)24-13-19(26-16-7-5-4-6-8-16)10-12-20(3)11-9-17(18(19)23)25-15(2)22/h4-8,17H,9-13H2,1-3H3/t17-,19+/m1/s1
InChIKey ICONKJJNKDVAEK-MJGOQNOKSA-N
Mol Weight 379.47 g/mol
Molecular Formula C19H25NO5S
Exact Mass 379.145344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2gEa1orXV7Q
Name (4S*,6R*)-1-Methyl-6-acetoxy-4-acetoxymethyl-4-(phenylthio)azacyclooctane-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H25NO5S
InChI InChI=1S/C19H25NO5S/c1-14(21)24-13-19(26-16-7-5-4-6-8-16)10-12-20(3)11-9-17(18(19)23)25-15(2)22/h4-8,17H,9-13H2,1-3H3/t17-,19+/m1/s1
InChIKey ICONKJJNKDVAEK-MJGOQNOKSA-N
Molecular Weight 379.471 g/mol
SMILES [C@]1(C([C@](OC(=O)C)(CCN(CC1)C)[H])=O)(Sc1ccccc1)COC(=O)C
SPLASH splash10-024i-1952000000-139e0e81c208df2ebfa7
Source of Spectrum AJ-67-2346-7
Synonyms (4R*,6S*)-1-Methyl-6-acetoxy-4-acetoxymethyl-4-(phenylthio)azacyclooctane-5-one (4R,6S)-6-[(acetyloxy)methyl]-1-methyl-5-oxo-6-(phenylsulfanyl)octahydro-4-azocinyl acetate
Wiley ID 772729