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Methyl (2R,3S)-rel-3-(4-Bromophenyl)-1,2,3,4,5,6,7,8-octahydro-6,6-dimethyl-8-oxo-2-naphthalenecarboxylate
SpectraBase Compound ID BUls5ODxxsE
InChI InChI=1S/C20H23BrO3/c1-20(2)10-13-8-15(12-4-6-14(21)7-5-12)17(19(23)24-3)9-16(13)18(22)11-20/h4-7,15,17H,8-11H2,1-3H3/t15-,17-/m1/s1
InChIKey XLTLWCPJHHXKHV-NVXWUHKLSA-N
Mol Weight 391.31 g/mol
Molecular Formula C20H23BrO3
Exact Mass 390.083058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7eNB345c9uq
Name Methyl (2R,3S)-rel-3-(4-Bromophenyl)-1,2,3,4,5,6,7,8-octahydro-6,6-dimethyl-8-oxo-2-naphthalenecarboxylate
Appearance White crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H23BrO3
InChI InChI=1S/C20H23BrO3/c1-20(2)10-13-8-15(12-4-6-14(21)7-5-12)17(19(23)24-3)9-16(13)18(22)11-20/h4-7,15,17H,8-11H2,1-3H3/t15-,17-/m1/s1
InChIKey XLTLWCPJHHXKHV-NVXWUHKLSA-N
Instrument Name Finnigan MAT 8430
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.p009.344
Molecular Weight 391.305 g/mol
SMILES C1C(C2=C(CC1(C)C)C[C@@]([C@@](C2)(C(=O)OC)[H])(c1ccc(cc1)Br)[H])=O
SPLASH splash10-003r-0049000000-2fb1a73961888a3bc05d
Source of Spectrum ARK-2015-310-5b
Wiley ID 1843414