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(3S,4R)-3-isobutyl-1-keto-isochroman-4-carboxylic acid methyl ester

View entire compound with spectra: 2 NMR

(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 GnqaJVh0xaP
Name (3S,4R)-3-isobutyl-1-keto-isochroman-4-carboxylic acid methyl ester
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
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
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2010)
Molecular Weight 262.306 g/mol
Source File Reference MHKO26535