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

*Links on SpectraBase are not permalinks.
Acetic acid, (5-bromo-3-oxo-1(3H)-isobenzofuranylidene)-, ethyl ester, (E)-
SpectraBase Compound ID IpJ7Hfnxm5P
InChI InChI=1S/C12H9BrO4/c1-2-16-11(14)6-10-8-4-3-7(13)5-9(8)12(15)17-10/h3-6H,2H2,1H3/b10-6+
InChIKey HQGXJVGHKUHNNF-UXBLZVDNSA-N
Mol Weight 297.1 g/mol
Molecular Formula C12H9BrO4
Exact Mass 295.968422 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 IJ7Ksg2Zqp3
Name Acetic acid, (5-bromo-3-oxo-1(3H)-isobenzofuranylidene)-, ethyl ester, (E)-
Alternate Name(s) (E)-6-Bromo-3-ethoxycarbonylmethylidenephthalide Ethyl (2E)-(5-bromo-3-oxo-2-benzofuran-1(3H)-ylidene)ethanoate
CAS Registry Number 83465-74-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9BrO4
InChI InChI=1S/C12H9BrO4/c1-2-16-11(14)6-10-8-4-3-7(13)5-9(8)12(15)17-10/h3-6H,2H2,1H3/b10-6+
InChIKey HQGXJVGHKUHNNF-UXBLZVDNSA-N
Molecular Weight 297.104 g/mol
SMILES C1(O\C(c2c1cc(cc2)Br)=C/C(=O)OCC)=O
SPLASH splash10-0udi-0090000000-6b7db85600baf2d355cb
Source of Spectrum KC-1982-1862-0
Wiley ID 1298641