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Methyl (2R,3S)-rel-1,2,3,4,5,6,7,8-Octahydro-6,6-dimethyl-3-(3-methylphenyl)-8-oxo-2-naphthalenecarboxylate
SpectraBase Compound ID Lof8MxbnrB7
InChI InChI=1S/C21H26O3/c1-13-6-5-7-14(8-13)16-9-15-11-21(2,3)12-19(22)17(15)10-18(16)20(23)24-4/h5-8,16,18H,9-12H2,1-4H3/t16-,18-/m1/s1
InChIKey HZXFDJAIQLTGLO-SJLPKXTDSA-N
Mol Weight 326.44 g/mol
Molecular Formula C21H26O3
Exact Mass 326.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IBfPPlePNHf
Name Methyl (2R,3S)-rel-1,2,3,4,5,6,7,8-Octahydro-6,6-dimethyl-3-(3-methylphenyl)-8-oxo-2-naphthalenecarboxylate
Appearance White crystals
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O3
InChI InChI=1S/C21H26O3/c1-13-6-5-7-14(8-13)16-9-15-11-21(2,3)12-19(22)17(15)10-18(16)20(23)24-4/h5-8,16,18H,9-12H2,1-4H3/t16-,18-/m1/s1
InChIKey HZXFDJAIQLTGLO-SJLPKXTDSA-N
Instrument Name Finnigan MAT 8430
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.p009.344
Molecular Weight 326.436 g/mol
SMILES C1C(C2=C(CC1(C)C)C[C@@]([C@@](C2)(C(=O)OC)[H])(c1cccc(c1)C)[H])=O
SPLASH splash10-02t9-0190000000-df9b4ce7c5d4f2f325bb
Source of Spectrum ARK-2015-312-5h
Wiley ID 1843420