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Ethyl 4-[6,7-dichloro-3,4-dihydronaphth-1-yl]butyrate

View entire compound with spectra: 1 FTIR

Ethyl 4-[6,7-dichloro-3,4-dihydronaphth-1-yl]butyrate
SpectraBase Compound ID 1hlTXKkPjk3
InChI InChI=1S/C16H18Cl2O2/c1-2-20-16(19)8-4-6-11-5-3-7-12-9-14(17)15(18)10-13(11)12/h5,9-10H,2-4,6-8H2,1H3
InChIKey LTSBXVWGMOIDKT-UHFFFAOYSA-N
Mol Weight 313.22 g/mol
Molecular Formula C16H18Cl2O2
Exact Mass 312.068385 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID G2eVGantOgO
Name Ethyl 4-[6,7-dichloro-3,4-dihydronaphth-1-yl]butyrate
Comments Computed using SmartSpectra Model v1.42
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Exact Mass 312.068385218 u
Formula C16H18Cl2O2
InChI InChI=1S/C16H18Cl2O2/c1-2-20-16(19)8-4-6-11-5-3-7-12-9-14(17)15(18)10-13(11)12/h5,9-10H,2-4,6-8H2,1H3
InChIKey LTSBXVWGMOIDKT-UHFFFAOYSA-N
Molecular Weight 313.224 g/mol
SMILES C1CC=C(C=2C1=CC(Cl)=C(Cl)C2)CCCC(OCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.852123