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Methyl (2R,3S)-rel-1,2,3,4,5,6,7,8-Octahydro-3-(3,5-dimethoxyphenyl)-6,6-dimethyl-8-oxo-2-naphthalenecarboxylate
SpectraBase Compound ID GQdDQw6ZOnA
InChI InChI=1S/C22H28O5/c1-22(2)11-14-8-17(13-6-15(25-3)9-16(7-13)26-4)19(21(24)27-5)10-18(14)20(23)12-22/h6-7,9,17,19H,8,10-12H2,1-5H3/t17-,19-/m1/s1
InChIKey PZVRYHMAGDFUKC-IEBWSBKVSA-N
Mol Weight 372.46 g/mol
Molecular Formula C22H28O5
Exact Mass 372.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ItdCCKomUrZ
Name Methyl (2R,3S)-rel-1,2,3,4,5,6,7,8-Octahydro-3-(3,5-dimethoxyphenyl)-6,6-dimethyl-8-oxo-2-naphthalenecarboxylate
Appearance White crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O5
InChI InChI=1S/C22H28O5/c1-22(2)11-14-8-17(13-6-15(25-3)9-16(7-13)26-4)19(21(24)27-5)10-18(14)20(23)12-22/h6-7,9,17,19H,8,10-12H2,1-5H3/t17-,19-/m1/s1
InChIKey PZVRYHMAGDFUKC-IEBWSBKVSA-N
Instrument Name Finnigan MAT 8430
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.p009.344
Molecular Weight 372.461 g/mol
SMILES C1C(C2=C(CC1(C)C)C[C@@]([C@@](C2)(C(=O)OC)[H])(c1cc(cc(c1)OC)OC)[H])=O
SPLASH splash10-03di-0029000000-aab37803d085e2d567a2
Source of Spectrum ARK-2015-311-5f
Wiley ID 1843418