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

*Links on SpectraBase are not permalinks.
2H-1,3-Thiazine-3(4H)-acetic acid, 5-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)dihydro-4-oxo-2-phenyl-, ethyl ester
SpectraBase Compound ID 6HGlSxxaHFU
InChI InChI=1S/C22H20N2O5S/c1-2-29-18(25)12-23-21(28)17(13-30-22(23)14-8-4-3-5-9-14)24-19(26)15-10-6-7-11-16(15)20(24)27/h3-11,17,22H,2,12-13H2,1H3
InChIKey XXEXYSCSWKIFSG-UHFFFAOYSA-N
Mol Weight 424.47 g/mol
Molecular Formula C22H20N2O5S
Exact Mass 424.109293 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 1dPTHKttj3K
Name 2H-1,3-Thiazine-3(4H)-acetic acid, 5-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)dihydro-4-oxo-2-phenyl-, ethyl ester
CAS Registry Number 72286-37-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20N2O5S
InChI InChI=1S/C22H20N2O5S/c1-2-29-18(25)12-23-21(28)17(13-30-22(23)14-8-4-3-5-9-14)24-19(26)15-10-6-7-11-16(15)20(24)27/h3-11,17,22H,2,12-13H2,1H3
InChIKey XXEXYSCSWKIFSG-UHFFFAOYSA-N
Molecular Weight 424.471 g/mol
SMILES C1(N2C(c3ccccc3C2=O)=O)C(N(CC(=O)OCC)C(SC1)c1ccccc1)=O
SPLASH splash10-0fy9-0926000000-7f36bc5df031ea07e3b6
Source of Spectrum I-57-2423-0
Synonyms 2-Phenyl-3-carbethoxy-1,3-tetrahydrothiazin-4-one
Wiley ID 1379214