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2-Chloro-1-oxo-indan-2-carboxylic acid isopropyl ester

View entire compound with spectra: 2 MS (GC)

2-Chloro-1-oxo-indan-2-carboxylic acid isopropyl ester
SpectraBase Compound ID GfAnHUm0pev
InChI InChI=1S/C13H13ClO3/c1-8(2)17-12(16)13(14)7-9-5-3-4-6-10(9)11(13)15/h3-6,8H,7H2,1-2H3
InChIKey SQJOCCVCDSJTIC-UHFFFAOYSA-N
Mol Weight 252.7 g/mol
Molecular Formula C13H13ClO3
Exact Mass 252.055322 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3tYprn4IciO
Name 2-Chloro-1-oxo-indan-2-carboxylic acid isopropyl ester
Alternate Name(s) Iso-Propyl 2-chloro-1-oxo-indan-2-carboxylate Isopropyl 2-chloro-1-oxo-2,3-dihydro-1H-indene-2-carboxylate
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Formula C13H13ClO3
InChI InChI=1S/C13H13ClO3/c1-8(2)17-12(16)13(14)7-9-5-3-4-6-10(9)11(13)15/h3-6,8H,7H2,1-2H3
InChIKey SQJOCCVCDSJTIC-UHFFFAOYSA-N
Molecular Weight 252.697 g/mol
SMILES C1(C(c2ccccc2C1)=O)(C(OC(C)C)=O)Cl
SPLASH splash10-0691-0910000000-aa5bd6c3d5a39e0bfbf7
Source of Spectrum QC-21-251-5b
Wiley ID 1688206