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(R)-MELLEIN
SpectraBase Compound ID 8ph3sf5s0lV
InChI InChI=1S/C10H10O3/c1-6-5-7-3-2-4-8(11)9(7)10(12)13-6/h2-4,6,11H,5H2,1H3/t6-/m1/s1
InChIKey KWILGNNWGSNMPA-ZCFIWIBFSA-N
Mol Weight 178.19 g/mol
Molecular Formula C10H10O3
Exact Mass 178.062994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3VHQSvHVrc
Name (R)-(-)-Mellein
Alternate Name(s) (3R)-mellein Mellein 3-Methyl-8-hydroxy-3,4-dihydro-isocoumarin (3R)-8-Hydroxy-3-methyl-3,4-dihydro-1H-2-benzopyran-1-one (3R)-8-hydroxy-3-methyl-3,4-dihydroisochromen-1-one (3R)-3-methyl-8-oxidanyl-3,4-dihydroisochromen-1-one
CAS Registry Number 480-33-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H10O3
InChI InChI=1S/C10H10O3/c1-6-5-7-3-2-4-8(11)9(7)10(12)13-6/h2-4,6,11H,5H2,1H3/t6-/m1/s1
InChIKey KWILGNNWGSNMPA-ZCFIWIBFSA-N
Molecular Weight 178.187 g/mol
SMILES Oc1c2C(O[C@@](Cc2ccc1)(C)[H])=O
SPLASH splash10-0059-1900000000-ce6fff8472f58d35b9d9
Source of Spectrum QC-8-2157-1
Wiley ID 870089