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(3S)-3-[(1S)-1-hydroxy-3-methyl-butyl]-8-methoxy-isochroman-1-one
SpectraBase Compound ID BNlvkMqtp0C
InChI InChI=1S/C15H20O4/c1-9(2)7-11(16)13-8-10-5-4-6-12(18-3)14(10)15(17)19-13/h4-6,9,11,13,16H,7-8H2,1-3H3/t11-,13-/m0/s1
InChIKey AEOWQWDKZHNMGN-AAEUAGOBSA-N
Mol Weight 264.32 g/mol
Molecular Formula C15H20O4
Exact Mass 264.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GSY8iOkofmw
Name (3S)-3-[(1S)-1-hydroxy-3-methyl-butyl]-8-methoxy-isochroman-1-one
Alternate Name(s) (3S)-3-[(1S)-1-hydroxy-3-methylbutyl]-8-methoxy-3,4-dihydro-1H-2-benzopyran-1-one (3S)-3-[(1S)-1-hydroxy-3-methylbutyl]-8-methoxy-3,4-dihydroisochromen-1-one (3S)-8-methoxy-3-[(1S)-3-methyl-1-oxidanyl-butyl]-3,4-dihydroisochromen-1-one
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Formula C15H20O4
InChI InChI=1S/C15H20O4/c1-9(2)7-11(16)13-8-10-5-4-6-12(18-3)14(10)15(17)19-13/h4-6,9,11,13,16H,7-8H2,1-3H3/t11-,13-/m0/s1
InChIKey AEOWQWDKZHNMGN-AAEUAGOBSA-N
Molecular Weight 264.321 g/mol
SMILES O[C@]([C@]1(OC(c2c(cccc2OC)C1)=O)[H])(CC(C)C)[H]
SPLASH splash10-004j-0900000000-be45345514e7e0539f7f
Source of Spectrum J-61-3185-6
Wiley ID 1268047