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Product NameIsophorone
CAS78-59-1
Molecular FormulaC9H14O
Molecular Weight138.21
InChIInChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3
InChIKey HJOVHMDZYOCNQW-UHFFFAOYSA-N
SmilesC1(=O)CC(C)(C)CC(C)=C1
MS
1HNMR
13CNMR
IR1
IR2
Raman
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Isophorone(78-59-1) 1H NMR Atlas of Related Products