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

*Links on SpectraBase are not permalinks.
2-(2-Chloro-3,4-diketo-cyclobuten-1-yl)acetic acid phenyl ester
SpectraBase Compound ID 1qDmtyG779f
InChI InChI=1S/C12H7ClO4/c13-10-8(11(15)12(10)16)6-9(14)17-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey FUOOMXWVSQDXLS-UHFFFAOYSA-N
Mol Weight 250.64 g/mol
Molecular Formula C12H7ClO4
Exact Mass 250.003286 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 LLem3gTi76D
Name 2-(2-chloro-3,4-diketo-cyclobuten-1-yl)acetic acid phenyl ester
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H7ClO4
InChI InChI=1S/C12H7ClO4/c13-10-8(11(15)12(10)16)6-9(14)17-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey FUOOMXWVSQDXLS-UHFFFAOYSA-N
Molecular Weight 250.637 g/mol
SMILES C1(=C(Cl)C(C1=O)=O)CC(Oc1ccccc1)=O
SPLASH splash10-0006-9000000000-76ada781293263e25ebe
Source of Spectrum KC-1993-268-8
Synonyms 2-(2-chloro-3,4-dioxo-1-cyclobutenyl)acetic acid phenyl ester phenyl 2-(2-chloro-3,4-dioxo-cyclobuten-1-yl)acetate phenyl 2-[2-chloranyl-3,4-bis(oxidanylidene)cyclobuten-1-yl]ethanoate
Wiley ID 778816