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

*Links on SpectraBase are not permalinks.
6-Benzyloxy-3-hydroxy-5-iodo-7-methoxy-3H-isobenzofuran-1-one
SpectraBase Compound ID FX6Ylqu2S8N
InChI InChI=1S/C16H13IO5/c1-20-14-12-10(15(18)22-16(12)19)7-11(17)13(14)21-8-9-5-3-2-4-6-9/h2-7,15,18H,8H2,1H3
InChIKey CHZBLZUDLHXWLA-UHFFFAOYSA-N
Mol Weight 412.18 g/mol
Molecular Formula C16H13IO5
Exact Mass 411.980769 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 H2BtVEAUOkL
Name 6-Benzyloxy-3-hydroxy-5-iodo-7-methoxy-3H-isobenzofuran-1-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13IO5
InChI InChI=1S/C16H13IO5/c1-20-14-12-10(15(18)22-16(12)19)7-11(17)13(14)21-8-9-5-3-2-4-6-9/h2-7,15,18H,8H2,1H3
InChIKey CHZBLZUDLHXWLA-UHFFFAOYSA-N
Molecular Weight 412.179 g/mol
SMILES OC1c2c(C(O1)=O)c(c(c(I)c2)OCc1ccccc1)OC
SPLASH splash10-0006-9000100000-83a3e9275196e65f3d40
Source of Spectrum F4-0-3578-21
Synonyms 6-(benzyloxy)-3-hydroxy-5-iodo-7-methoxy-2-benzofuran-1(3H)-one
Wiley ID 1619165