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(3S,4R)-3-isobutyl-1-keto-isochroman-4-carboxylic acid methyl ester
SpectraBase Compound ID 7Vv5MJHQLoV
InChI InChI=1S/C15H18O4/c1-9(2)8-12-13(15(17)18-3)10-6-4-5-7-11(10)14(16)19-12/h4-7,9,12-13H,8H2,1-3H3/t12-,13+/m0/s1
InChIKey AEIOQFRODFOFOT-QWHCGFSZSA-N
Mol Weight 262.3 g/mol
Molecular Formula C15H18O4
Exact Mass 262.120509 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GPljaREt0Lx
Name TRANS-3-ISOBUTYL-4-CARBMETHOXY-1-ISOCHROMANONE
Comments S
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Formula C15H18O4
InChI InChI=1S/C15H18O4/c1-9(2)8-12-13(15(17)18-3)10-6-4-5-7-11(10)14(16)19-12/h4-7,9,12-13H,8H2,1-3H3/t12-,13+/m0/s1
InChIKey AEIOQFRODFOFOT-QWHCGFSZSA-N
Instrument Name Jeol FX-90
Literature Reference A.N.KASATKIN, R.KH.BIKTIMIROV, G.A.TOLSTIKOV, V.R.SULTANMURATOVA (1991)Zhurn.Org.Khim.(Russ. Lang.): v.27, N4, 700-711.
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d