For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(Trideuterio)-Mercapturic Acid Methyl Ester Phenyl Glycidyl ether
SpectraBase Compound ID 33VOvPaE5iJ
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)/i1D3
InChIKey GVFHBADICPHHTP-FIBGUPNXSA-N
Mol Weight 330.41 g/mol
Molecular Formula C15H182D3NO5S
Exact Mass 330.132874 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7IOHXBoW8Kk
Name (Trideuterio)-Mercapturic Acid Methyl Ester Phenyl Glycidyl ether
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18D3NO5S
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)/i1D3
InChIKey GVFHBADICPHHTP-FIBGUPNXSA-N
Molecular Weight 330.413 g/mol
SMILES N(C(CSCC(COc1ccccc1)O)C(=O)OC)C(=O)C([2D])([2D])[2D]
SPLASH splash10-016r-0490000000-c10a2030bc847dc351c2
Source of Spectrum CRT-11-113-Me-(2H3)-PGEMA
Synonyms Methyl 7-phenoxy-2-[N-(trideuterioacetyl)amino]-6-hydroxy-4-thiaheptanoate
Wiley ID 1709797