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Me-pgema
SpectraBase Compound ID rGSkgrtzZQ
InChI InChI=1S/C15H21NO5S/c1-11(17)16-14(15(19)20-2)10-22-9-12(18)8-21-13-6-4-3-5-7-13/h3-7,12,14,18H,8-10H2,1-2H3,(H,16,17)
InChIKey GVFHBADICPHHTP-UHFFFAOYSA-N
Mol Weight 327.39 g/mol
Molecular Formula C15H21NO5S
Exact Mass 327.114044 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7AT3J7u0mDh
Name Me-pgema
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H21NO5S
InChI InChI=1S/C15H21NO5S/c1-11(17)16-14(15(19)20-2)10-22-9-12(18)8-21-13-6-4-3-5-7-13/h3-7,12,14,18H,8-10H2,1-2H3,(H,16,17)
InChIKey GVFHBADICPHHTP-UHFFFAOYSA-N
Molecular Weight 327.395 g/mol
SMILES N(C(CSCC(COc1ccccc1)O)C(=O)OC)C(=O)C
SPLASH splash10-014i-0390000000-61fe3a5b55b75c640e05
Source of Spectrum CRT-11-113-Me-PGEMA
Synonyms Mercapturic Acid Methyl Ester Phenyl Glycidyl Ether Methyl 7-phenoxy-2-(acetylamino)-6-hydroxy-4-thiaheptanoate
Wiley ID 1709799