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1-Naphthalenecarboxylic acid, 1,4,4a,5,8,8a-hexahydro-6,8a-dimethyl-5,8-dioxo-, methyl ester, (1.alpha.,4a.alpha.,8a.beta.)-

View entire compound with spectra: 1 MS (GC)

1-Naphthalenecarboxylic acid, 1,4,4a,5,8,8a-hexahydro-6,8a-dimethyl-5,8-dioxo-, methyl ester, (1.alpha.,4a.alpha.,8a.beta.)-
SpectraBase Compound ID LRuceUOZQyP
InChI InChI=1S/C14H16O4/c1-8-7-11(15)14(2)9(12(8)16)5-4-6-10(14)13(17)18-3/h4,6-7,9-10H,5H2,1-3H3/t9-,10-,14-/m0/s1
InChIKey OTSXSFOYLNEUTH-BHDSKKPTSA-N
Mol Weight 248.28 g/mol
Molecular Formula C14H16O4
Exact Mass 248.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 60fYAsIHofA
Name 1-Naphthalenecarboxylic acid, 1,4,4a,5,8,8a-hexahydro-6,8a-dimethyl-5,8-dioxo-, methyl ester, (1.alpha.,4a.alpha.,8a.beta.)-
CAS Registry Number 63780-13-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O4
InChI InChI=1S/C14H16O4/c1-8-7-11(15)14(2)9(12(8)16)5-4-6-10(14)13(17)18-3/h4,6-7,9-10H,5H2,1-3H3/t9-,10-,14-/m0/s1
InChIKey OTSXSFOYLNEUTH-BHDSKKPTSA-N
Molecular Weight 248.278 g/mol
SMILES [C@]12(C(C=C(C([C@@]2(CC=C[C@]1(C(=O)OC)[H])[H])=O)C)=O)C
SPLASH splash10-000b-0590000000-7e4e9d51d3de706a2456
Source of Spectrum K-110-2042-0
Synonyms 1,4,4,a.alpha.,5,8,8a-hexahydro-6,8a.beta.-dimethyl-5,8-dioxo-1.alpha.-naphthalincarboxylic acid-methylester Methyl (1R,4aR,8aS)-6,8a-dimethyl-5,8-dioxo-1,4,4a,5,8,8a-hexahydro-1-naphthalenecarboxylate
Wiley ID 1251047