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

*Links on SpectraBase are not permalinks.
1-(3'-indolyl)-2-(2'-phenylsulfonylethyl)-8-oxo-2-aza-3,7-dioxabicyclo[3.3.0]octane
SpectraBase Compound ID BOv6xhPIct3
InChI InChI=1S/C21H20N2O5S/c24-20-21(18-12-22-19-9-5-4-8-17(18)19)15(13-27-20)14-28-23(21)10-11-29(25,26)16-6-2-1-3-7-16/h1-9,12,15,22H,10-11,13-14H2
InChIKey DJENRZPVJBCLNC-UHFFFAOYSA-N
Mol Weight 412.46 g/mol
Molecular Formula C21H20N2O5S
Exact Mass 412.109293 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 yr0NOLElvv
Name 1-(3'-indolyl)-2-(2'-phenylsulfonylethyl)-8-oxo-2-aza-3,7-dioxabicyclo[3.3.0]octane
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20N2O5S
InChI InChI=1S/C21H20N2O5S/c24-20-21(18-12-22-19-9-5-4-8-17(18)19)15(13-27-20)14-28-23(21)10-11-29(25,26)16-6-2-1-3-7-16/h1-9,12,15,22H,10-11,13-14H2
InChIKey DJENRZPVJBCLNC-UHFFFAOYSA-N
Molecular Weight 412.460 g/mol
SMILES [nH]1c2c(c(c1)C13N(OCC3COC1=O)CCS(=O)(=O)c1ccccc1)cccc2
SPLASH splash10-004l-9120000000-839f27066ae1523b1591
Source of Spectrum F-47-4510-5
Synonyms 6a-(1H-indol-3-yl)-1-[2-(phenylsulfonyl)ethyl]tetrahydro-3H,6H-furo[3,4-c]isoxazol-6-one
Wiley ID 1374352