Ethyl 3,4-dihydroxybenzoate(3943-89-3) IR1
Product NameEthyl 3,4-dihydroxybenzoate
CAS3943-89-3
Molecular FormulaC9H10O4
Molecular Weight182.17
InChIInChI=1S/C9H10O4/c1-2-13-9(12)6-3-4-7(10)8(11)5-6/h3-5,10-11H,2H2,1H3
InChIKey KBPUBCVJHFXPOC-UHFFFAOYSA-N
SmilesC(OCC)(=O)C1=CC=C(O)C(O)=C1
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Assign. Shift(ppm)
A *1 9.80 B *1 9.40 C 7.398 D 7.344 E 6.839 F 4.241 G 1.292Spectral Code: 1H NMR : 400 MHz in DMSO-d6
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ppm Int. Assign.
165.71 547 1 150.33 1000 2 145.07 969 3 121.76 995 4 121.19 719 5 116.50 1000 6 115.34 938 7 59.90 896 8 14.19 792 9Spectral Code: 13C NMR : in DMSO-d6
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Spectral Code: IR : KBr disc
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Spectral Code: Raman : 4880 A,200 M,powder
