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5-METHYL-MELLEIN
SpectraBase Compound ID LpHhTKTPC8U
InChI InChI=1S/C11H12O3/c1-6-3-4-9(12)10-8(6)5-7(2)14-11(10)13/h3-4,7,12H,5H2,1-2H3/t7-/m1/s1
InChIKey YETSBBYQOFXYGV-SSDOTTSWSA-N
Mol Weight 192.21 g/mol
Molecular Formula C11H12O3
Exact Mass 192.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BP37lB8LKV1
Name (-)-5-Methylmellein
Alternate Name(s) (R)-8-hydroxy-3,5-dimethylisochroman-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O3
InChI InChI=1S/C11H12O3/c1-6-3-4-9(12)10-8(6)5-7(2)14-11(10)13/h3-4,7,12H,5H2,1-2H3/t7-/m1/s1
InChIKey YETSBBYQOFXYGV-SSDOTTSWSA-N
Literature Reference DOI 10.1002/cbdv.201500299
Molecular Weight 192.214 g/mol
SMILES Oc1c2c(c(cc1)C)C[C@](OC2=O)(C)[H]
SPLASH splash10-0006-0900000000-0917c5ca70439066f81b
Source of Spectrum CBD-13-929-929_1
Wiley ID 1799278