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(1R,2R,3S,4R)-3-[(4-Methoxyphenyl)methyl]-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl (R/S)-2-methylhexanoate
SpectraBase Compound ID 2u6x2nHUPJ1
InChI InChI=1S/C25H38O3/c1-7-8-9-17(2)23(26)28-22-20(16-18-10-12-19(27-6)13-11-18)21-14-15-25(22,5)24(21,3)4/h10-13,17,20-22H,7-9,14-16H2,1-6H3/t17?,20-,21+,22-,25+/m1/s1
InChIKey AIYZOVNZXXHDRP-XFGVLLKOSA-N
Mol Weight 386.6 g/mol
Molecular Formula C25H38O3
Exact Mass 386.282095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LAtvoRdm6I0
Name (1R,2R,3S,4R)-3-[(4-Methoxyphenyl)methyl]-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl (R/S)-2-methylhexanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H38O3
InChI InChI=1S/C25H38O3/c1-7-8-9-17(2)23(26)28-22-20(16-18-10-12-19(27-6)13-11-18)21-14-15-25(22,5)24(21,3)4/h10-13,17,20-22H,7-9,14-16H2,1-6H3/t17?,20-,21+,22-,25+/m1/s1
InChIKey AIYZOVNZXXHDRP-XFGVLLKOSA-N
Molecular Weight 386.576 g/mol
SMILES [C@@]12([C@@]([C@](Cc3ccc(cc3)OC)([C@@](C1(C)C)(CC2)[H])[H])(OC(=O)C(CCCC)C)[H])C
SPLASH splash10-0c00-0941000000-92e15e6f9ec0db1e3994
Source of Spectrum SO-0-1395-6
Synonyms (1R,2R,3S,4R)-3-[(4-Methoxyphenyl)methyl]-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester of (R/S)-2-Methylhexanoic acid
Wiley ID 865173