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O-acetyl-aerugine
SpectraBase Compound ID LhDdVqK8g8w
InChI InChI=1S/C12H13NO3S/c1-8(14)16-6-9-7-17-12(13-9)10-4-2-3-5-11(10)15/h2-5,9,15H,6-7H2,1H3
InChIKey FIPGVABXXLOJLK-UHFFFAOYSA-N
Mol Weight 251.3 g/mol
Molecular Formula C12H13NO3S
Exact Mass 251.061614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 17em7P7rfHd
Name O-acetyl-aerugine
Alternate Name(s) 4-(Acetoxymethyl)-2-(2'-hydroxyphenyl)-2-thiazoline [2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]methyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO3S
InChI InChI=1S/C12H13NO3S/c1-8(14)16-6-9-7-17-12(13-9)10-4-2-3-5-11(10)15/h2-5,9,15H,6-7H2,1H3
InChIKey FIPGVABXXLOJLK-UHFFFAOYSA-N
Molecular Weight 251.300 g/mol
SMILES Oc1c(C2=NC(COC(=O)C)CS2)cccc1
SPLASH splash10-0fbc-1930000000-e950123cb625c17d353f
Source of Spectrum X4-23-465-0
Wiley ID 1586083