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1,4-Naphthalenedione, 8-[(acetyloxy)methyl]-4a,5,8,8a-tetrahydro-2-methoxy-, (4a.alpha.,8.beta.,8a.alpha.)-
SpectraBase Compound ID DpezZAEjU02
InChI InChI=1S/C14H16O5/c1-8(15)19-7-9-4-3-5-10-11(16)6-12(18-2)14(17)13(9)10/h3-4,6,9-10,13H,5,7H2,1-2H3/t9-,10+,13+/m0/s1
InChIKey BFCZZVJRXNSZBN-OPQQBVKSSA-N
Mol Weight 264.28 g/mol
Molecular Formula C14H16O5
Exact Mass 264.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1aap27IHCh
Name 1,4-Naphthalenedione, 8-[(acetyloxy)methyl]-4a,5,8,8a-tetrahydro-2-methoxy-, (4a.alpha.,8.beta.,8a.alpha.)-
CAS Registry Number 63780-19-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O5
InChI InChI=1S/C14H16O5/c1-8(15)19-7-9-4-3-5-10-11(16)6-12(18-2)14(17)13(9)10/h3-4,6,9-10,13H,5,7H2,1-2H3/t9-,10+,13+/m0/s1
InChIKey BFCZZVJRXNSZBN-OPQQBVKSSA-N
Molecular Weight 264.277 g/mol
SMILES C1=C(C(=O)[C@]2([C@@](C1=O)(CC=C[C@]2(COC(=O)C)[H])[H])[H])OC
SPLASH splash10-0imi-0490000000-699a564452bb1219133f
Source of Spectrum K-110-2043-0
Synonyms 8.alpha.-acetoxymethyl-4a.beta.,5,8,8a.beta.-tetrahydro-2-methoxy-1,4-naphthalindione [(1R,4aS,8aR)-7-methoxy-5,8-dioxo-1,4,4a,5,8,8a-hexahydro-1-naphthalenyl]methyl acetate
Wiley ID 1267766