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(3R)-8-HYDROXY-6-METHOXY-3-UNDECYL-3,4-DIHYDROISOCOUMARIN
SpectraBase Compound ID HPZOJN3bnCV
InChI InChI=1S/C21H32O4/c1-3-4-5-6-7-8-9-10-11-12-17-13-16-14-18(24-2)15-19(22)20(16)21(23)25-17/h14-15,17,22H,3-13H2,1-2H3/t17-/m1/s1
InChIKey CANWZHIMGIVQDV-QGZVFWFLSA-N
Mol Weight 348.5 g/mol
Molecular Formula C21H32O4
Exact Mass 348.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LIieUYwx9Xg
Name (3R)-6-methoxy-8-oxidanyl-3-undecyl-3,4-dihydroisochromen-1-one
Alternate Name(s) (3R)-8-hydroxy-6-methoxy-3-undecyl-3,4-dihydro-1H-2-benzopyran-1-one (3R)-8-hydroxy-6-methoxy-3-undecyl-3,4-dihydroisochromen-1-one (3R)-8-hydroxy-6-methoxy-3-undecyl-isochroman-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O4
InChI InChI=1S/C21H32O4/c1-3-4-5-6-7-8-9-10-11-12-17-13-16-14-18(24-2)15-19(22)20(16)21(23)25-17/h14-15,17,22H,3-13H2,1-2H3/t17-/m1/s1
InChIKey CANWZHIMGIVQDV-QGZVFWFLSA-N
Molecular Weight 348.483 g/mol
SMILES Oc1c2C(O[C@@](Cc2cc(c1)OC)(CCCCCCCCCCC)[H])=O
SPLASH splash10-0a6r-0973000000-68d24516672e29423fff
Source of Spectrum H-86-382-1
Wiley ID 1525250