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Methyl (2R,3S)-rel-1,2,3,4,5,6,7,8-Octahydro-3-(3-methoxyphenyl)-6,6-dimethyl-8-oxo-2-naphthalenecarboxylate
SpectraBase Compound ID LGH9F1gjk8e
InChI InChI=1S/C21H26O4/c1-21(2)11-14-9-16(13-6-5-7-15(8-13)24-3)18(20(23)25-4)10-17(14)19(22)12-21/h5-8,16,18H,9-12H2,1-4H3/t16-,18-/m1/s1
InChIKey SMZBCPCBSFVNSZ-SJLPKXTDSA-N
Mol Weight 342.44 g/mol
Molecular Formula C21H26O4
Exact Mass 342.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EZx4jCK99RD
Name Methyl (2R,3S)-rel-1,2,3,4,5,6,7,8-Octahydro-3-(3-methoxyphenyl)-6,6-dimethyl-8-oxo-2-naphthalenecarboxylate
Appearance White crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O4
InChI InChI=1S/C21H26O4/c1-21(2)11-14-9-16(13-6-5-7-15(8-13)24-3)18(20(23)25-4)10-17(14)19(22)12-21/h5-8,16,18H,9-12H2,1-4H3/t16-,18-/m1/s1
InChIKey SMZBCPCBSFVNSZ-SJLPKXTDSA-N
Instrument Name Finnigan MAT 8430
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.p009.344
Molecular Weight 342.435 g/mol
SMILES C1C(C2=C(CC1(C)C)C[C@@]([C@@](C2)(C(=O)OC)[H])(c1cccc(c1)OC)[H])=O
SPLASH splash10-001i-0091000000-7b9f71ae679cdf780206
Source of Spectrum ARK-2015-311-5e
Wiley ID 1843417