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1-Naphthalenecarboxylic acid, 1,4,4a,5,8,8a-hexahydro-6-methoxy-4,8a-dimethyl-5,8-dioxo-, methyl ester, (1.alpha.,4.alpha.,4a.alpha.,8a.beta.)-
SpectraBase Compound ID EIH5i4FNgSa
InChI InChI=1S/C15H18O5/c1-8-5-6-9(14(18)20-4)15(2)11(16)7-10(19-3)13(17)12(8)15/h5-9,12H,1-4H3/t8-,9-,12-,15-/m0/s1
InChIKey PVZQTZZXGNOGDB-GNKXVXNISA-N
Mol Weight 278.3 g/mol
Molecular Formula C15H18O5
Exact Mass 278.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ih5RuaVWE4
Name 1-Naphthalenecarboxylic acid, 1,4,4a,5,8,8a-hexahydro-6-methoxy-4,8a-dimethyl-5,8-dioxo-, methyl ester, (1.alpha.,4.alpha.,4a.alpha.,8a.beta.)-
CAS Registry Number 63780-28-9
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18O5
InChI InChI=1S/C15H18O5/c1-8-5-6-9(14(18)20-4)15(2)11(16)7-10(19-3)13(17)12(8)15/h5-9,12H,1-4H3/t8-,9-,12-,15-/m0/s1
InChIKey PVZQTZZXGNOGDB-GNKXVXNISA-N
Molecular Weight 278.304 g/mol
SMILES [C@]12(C(C=C(C([C@@]2([C@@](C)(C=C[C@]1(C(=O)OC)[H])[H])[H])=O)OC)=O)C
SPLASH splash10-004i-0090000000-4112db6e3e4f6ddf5d8b
Source of Spectrum K-110-2045-0
Synonyms 1,4,4a.alpha.,5,8,8a-hexahydro-6-methoxy-4.alpha.,8a.beta.-dimethyl-5,8-dioxo-1.alpha.-naphthalincarboxylic acid-methylester Methyl (1R,4S,4aR,8aS)-6-methoxy-4,8a-dimethyl-5,8-dioxo-1,4,4a,5,8,8a-hexahydro-1-naphthalenecarboxylate
Wiley ID 1281865