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

*Links on SpectraBase are not permalinks.
4-(1,3-benzodioxol-5-yl)-2-keto-butyric acid methyl ester
SpectraBase Compound ID HBxJuvj5xk
InChI InChI=1S/C12H12O5/c1-15-12(14)9(13)4-2-8-3-5-10-11(6-8)17-7-16-10/h3,5-6H,2,4,7H2,1H3
InChIKey NAKNZIUVHZLPSJ-UHFFFAOYSA-N
Mol Weight 236.22 g/mol
Molecular Formula C12H12O5
Exact Mass 236.068473 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 EOYvl1knCGl
Name 4-(1,3-benzodioxol-5-yl)-2-keto-butyric acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O5
InChI InChI=1S/C12H12O5/c1-15-12(14)9(13)4-2-8-3-5-10-11(6-8)17-7-16-10/h3,5-6H,2,4,7H2,1H3
InChIKey NAKNZIUVHZLPSJ-UHFFFAOYSA-N
Molecular Weight 236.223 g/mol
SMILES C(C(CCc1cc2OCOc2cc1)=O)(=O)OC
SPLASH splash10-000i-0920000000-1c658f8f7586604a1286
Source of Spectrum J-66-3609-7
Synonyms 4-(1,3-benzodioxol-5-yl)-2-oxobutanoic acid methyl ester Methyl 4-(1,3-benzodioxol-5-yl)-2-oxidanylidene-butanoate Methyl 4-(1,3-benzodioxol-5-yl)-2-oxo-butanoate
Wiley ID 1535770