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Product NameURACIL-4-ACETIC ACID
CAS4628-39-1
Molecular FormulaC6H6N2O4
Molecular Weight170.12
InChIInChI=1S/C6H6N2O4/c9-4-1-3(2-5(10)11)7-6(12)8-4/h1H,2H2,(H,10,11)(H2,7,8,9,12)
InChIKey NQAUNZZEYKWTHM-UHFFFAOYSA-N
SmilesC1(=O)NC(=O)C=C(CC(O)=O)N1
1HNMR
IR1
IR2
400 MHz in CDCl3
Assign. Shift(ppm) A 12. B *1 11.015 C *1 10.884 D 5.464 E 3.405
Hz ppm Int.
4402.53 11.016 218 4349.96 10.885 237 2184.06 5.465 401 1361.17 3.406 1000
KBr disc
nujol mull
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