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

*Links on SpectraBase are not permalinks.
1,3-Dithiane-2-carboxylic acid, 2-[6-[2-(2-oxo-1-pyrrolidinyl)ethyl]-1,3-benzodioxol-5-yl]-, methyl ester
SpectraBase Compound ID Lx5slR5UVbK
InChI InChI=1S/C19H23NO5S2/c1-23-18(22)19(26-8-3-9-27-19)14-11-16-15(24-12-25-16)10-13(14)5-7-20-6-2-4-17(20)21/h10-11H,2-9,12H2,1H3
InChIKey YSABYDWRZZRPBZ-UHFFFAOYSA-N
Mol Weight 409.52 g/mol
Molecular Formula C19H23NO5S2
Exact Mass 409.101765 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 62i3QTjKkIk
Name 1,3-Dithiane-2-carboxylic acid, 2-[6-[2-(2-oxo-1-pyrrolidinyl)ethyl]-1,3-benzodioxol-5-yl]-, methyl ester
Alternate Name(s) Methyl 2-{6-[2-(2-oxo-1-pyrrolidinyl)ethyl]-1,3-benzodioxol-5-yl}-1,3-dithiane-2-carboxylate
CAS Registry Number 124021-82-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H23NO5S2
InChI InChI=1S/C19H23NO5S2/c1-23-18(22)19(26-8-3-9-27-19)14-11-16-15(24-12-25-16)10-13(14)5-7-20-6-2-4-17(20)21/h10-11H,2-9,12H2,1H3
InChIKey YSABYDWRZZRPBZ-UHFFFAOYSA-N
Molecular Weight 409.515 g/mol
SMILES C1(c2c(cc3c(c2)OCO3)CCN2C(=O)CCC2)(C(=O)OC)SCCCS1
SPLASH splash10-00kg-0090000000-5c2c88bbb19969d24a5e
Source of Spectrum J-55-835-24
Wiley ID 1373278