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

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

1-Naphthalenecarboxylic acid, 1,4,4a,5,8,8a-hexahydro-4,6,8a-trimethyl-5,8-dioxo-, methyl ester, (1.alpha.,4.alpha.,4a.alpha.,8a.beta.)-
SpectraBase Compound ID KWcLl1FI7nt
InChI InChI=1S/C15H18O4/c1-8-5-6-10(14(18)19-4)15(3)11(16)7-9(2)13(17)12(8)15/h5-8,10,12H,1-4H3/t8-,10-,12-,15-/m0/s1
InChIKey RTGDACPTKQZSHA-FGAILIKWSA-N
Mol Weight 262.3 g/mol
Molecular Formula C15H18O4
Exact Mass 262.120509 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Hqa7O6R0ldF
Name 1-Naphthalenecarboxylic acid, 1,4,4A,5,8,8A-hexahydro-4,6,8A-trimethyl-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 262.120509056 u
Formula C15H18O4
InChI InChI=1S/C15H18O4/c1-8-5-6-10(14(18)19-4)15(3)11(16)7-9(2)13(17)12(8)15/h5-8,10,12H,1-4H3/t8-,10-,12-,15-/m0/s1
InChIKey RTGDACPTKQZSHA-FGAILIKWSA-N
Molecular Weight 262.305 g/mol
SMILES [C@@]12([C@](C(=O)C(=CC2=O)C)([C@@](C)(C=C[C@]1(C(=O)OC)[H])[H])[H])C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.865515