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1,2-Naphthalenedicarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-5,5,8a-trimethyl-, dimethyl ester, (1.alpha.,4a.beta.,8a.alpha.)-(.+-.)-

View entire compound with spectra: 1 MS (GC)

1,2-Naphthalenedicarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-5,5,8a-trimethyl-, dimethyl ester, (1.alpha.,4a.beta.,8a.alpha.)-(.+-.)-
SpectraBase Compound ID K04BmKepMD9
InChI InChI=1S/C17H26O4/c1-16(2)9-6-10-17(3)12(16)8-7-11(14(18)20-4)13(17)15(19)21-5/h7,12-13H,6,8-10H2,1-5H3/t12-,13+,17-/m1/s1
InChIKey SJTWNHSOWFJZMH-IIYDPXPESA-N
Mol Weight 294.39 g/mol
Molecular Formula C17H26O4
Exact Mass 294.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 96vXLgjaKKe
Name 1,2-Naphthalenedicarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-5,5,8a-trimethyl-, dimethyl ester, (1.alpha.,4a.beta.,8a.alpha.)-(.+-.)-
Alternate Name(s) Dimethyl (1S,4aR,8aR)-5,5,8a-trimethyl-1,4,4a,5,6,7,8,8a-octahydro-1,2-naphthalenedicarboxylate Dimethyl (4aRS,5SR,8aRS)-1,2,3,4,4a,5,8,8a-octahydro-1,1,4a-trimethylnaphthalene-5,6-dicarboxylate
CAS Registry Number 71558-02-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H26O4
InChI InChI=1S/C17H26O4/c1-16(2)9-6-10-17(3)12(16)8-7-11(14(18)20-4)13(17)15(19)21-5/h7,12-13H,6,8-10H2,1-5H3/t12-,13+,17-/m1/s1
InChIKey SJTWNHSOWFJZMH-IIYDPXPESA-N
Molecular Weight 294.391 g/mol
SMILES [C@]12([C@@](C(C(=O)OC)=CC[C@@]2(C(C)(C)CCC1)[H])(C(=O)OC)[H])C
SPLASH splash10-0ab9-1900000000-b5f827dcc50d617b024a
Source of Spectrum H-73-650-41
Wiley ID 1297281