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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.)-

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

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

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AyM8xogPIjx
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.)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 278.115423675 u
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
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
Spectrum/Structure Validation Score (Vapor Phase IR) 0.859451