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

*Links on SpectraBase are not permalinks.

3(2H)-benzoxazolecarboxylic acid, 5-chloro-2-oxo-, butyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3(2H)-benzoxazolecarboxylic acid, 5-chloro-2-oxo-, butyl ester
SpectraBase Compound ID 70UmDdMOHzu
InChI InChI=1S/C12H12ClNO4/c1-2-3-6-17-11(15)14-9-7-8(13)4-5-10(9)18-12(14)16/h4-5,7H,2-3,6H2,1H3
InChIKey HVJANDWNDVQMCC-UHFFFAOYSA-N
Mol Weight 269.68 g/mol
Molecular Formula C12H12ClNO4
Exact Mass 269.045486 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 KpuUR0Fawz7
Name 5-Chloro-2-oxo-benzooxazole-3-carboxylic acid butyl ester
Alternate Name(s) 5-Chloro-2-keto-1,3-benzoxazole-3-carboxylic acid butyl ester 5-Chloro-2-oxo-1,3-benzoxazole-3-carboxylic acid butyl ester Butyl 5-chloranyl-2-oxidanylidene-1,3-benzoxazole-3-carboxylate Butyl 5-chloro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate Butyl 5-chloro-2-oxo-1,3-benzoxazole-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12ClNO4
InChI InChI=1S/C12H12ClNO4/c1-2-3-6-17-11(15)14-9-7-8(13)4-5-10(9)18-12(14)16/h4-5,7H,2-3,6H2,1H3
InChIKey HVJANDWNDVQMCC-UHFFFAOYSA-N
Molecular Weight 269.684 g/mol
SMILES CCCCOC(N1C(Oc2c1cc(cc2)Cl)=O)=O
SPLASH splash10-014i-4900000000-8b8d580481a7ded30f2b
Wiley ID 1461890