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(4ARS,5SR)-1,2,3,4,4A,5-HEXAHYDRO-1,1,4A-TRIMETHYLNAPHTHALENE-5,6-DICARBOXYLIC-ACID,DIMETHYLESTER
SpectraBase Compound ID 7Ka8KqUCavE
InChI InChI=1S/C17H24O4/c1-16(2)9-6-10-17(3)12(16)8-7-11(14(18)20-4)13(17)15(19)21-5/h7-8,13H,6,9-10H2,1-5H3/t13-,17-/m1/s1
InChIKey IPZPICAJXWNSDM-CXAGYDPISA-N
Mol Weight 292.38 g/mol
Molecular Formula C17H24O4
Exact Mass 292.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 56pW9d0lWMo
Name 1,2-Naphthalenedicarboxylic acid, 1,5,6,7,8,8a-hexahydro-5,5,8a-trimethyl-, dimethyl ester, trans-(.+-.)-
CAS Registry Number 79679-68-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24O4
InChI InChI=1S/C17H24O4/c1-16(2)9-6-10-17(3)12(16)8-7-11(14(18)20-4)13(17)15(19)21-5/h7-8,13H,6,9-10H2,1-5H3/t13-,17-/m1/s1
InChIKey IPZPICAJXWNSDM-CXAGYDPISA-N
Molecular Weight 292.375 g/mol
SMILES [C@@]12(C(=CC=C([C@@]2(C(=O)OC)[H])C(=O)OC)C(C)(C)CCC1)C
SPLASH splash10-03di-2950000000-8ced364cc84130853bf1
Source of Spectrum H-73-649-29
Synonyms Dimethyl (1R,8aS)-5,5,8a-trimethyl-1,5,6,7,8,8a-hexahydro-1,2-naphthalenedicarboxylate Dimethyl (4aRS,5RS)-1,2,3,4,4a,5-hexahydro-1,1,4a-trimethylnaphthalene-5,6-dicarboxylate
Wiley ID 1295559