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3,4-Dihydro-8-hydroxy-6-methoxy-3-(R)-propylisocoumarin
SpectraBase Compound ID K9lLECgsF6z
InChI InChI=1S/C13H16O4/c1-3-4-9-5-8-6-10(16-2)7-11(14)12(8)13(15)17-9/h6-7,9,14H,3-5H2,1-2H3/t9-/m1/s1
InChIKey RYPQHAKCQSXFGH-SECBINFHSA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2icIWMFczpR
Name 3,4-Dihydro-8-hydroxy-6-methoxy-3-(R)-propylisocoumarin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-3-4-9-5-8-6-10(16-2)7-11(14)12(8)13(15)17-9/h6-7,9,14H,3-5H2,1-2H3/t9-/m1/s1
InChIKey RYPQHAKCQSXFGH-SECBINFHSA-N
Molecular Weight 236.267 g/mol
SMILES Oc1c2C(O[C@@](Cc2cc(c1)OC)(CCC)[H])=O
SPLASH splash10-0ug0-0920000000-de4ebc9a6b1a8a08055b
Source of Spectrum G4-71-1397-4
Synonyms (3R)-8-hydroxy-6-methoxy-3-propyl-3,4-dihydro-1H-2-benzopyran-1-one (3R)-8-hydroxy-6-methoxy-3-propyl-3,4-dihydroisochromen-1-one (3R)-6-methoxy-8-oxidanyl-3-propyl-3,4-dihydroisochromen-1-one
Wiley ID 1695106