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(1R,2R,3S,4R)-3-[(4-Methoxyphenyl)methyl]-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl 2-butyl-2-methylhexanoate

View entire compound with spectra: 1 MS (GC)

(1R,2R,3S,4R)-3-[(4-Methoxyphenyl)methyl]-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl 2-butyl-2-methylhexanoate
SpectraBase Compound ID 8mqpLvfPgcL
InChI InChI=1S/C29H46O3/c1-8-10-17-28(5,18-11-9-2)26(30)32-25-23(20-21-12-14-22(31-7)15-13-21)24-16-19-29(25,6)27(24,3)4/h12-15,23-25H,8-11,16-20H2,1-7H3/t23-,24+,25+,29-/m0/s1
InChIKey CXCYVRVQCHBJPK-RTAAPDIRSA-N
Mol Weight 442.7 g/mol
Molecular Formula C29H46O3
Exact Mass 442.344695 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5lttwmv2wpV
Name (1R,2R,3S,4R)-3-[(4-Methoxyphenyl)methyl]-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl 2-butyl-2-methylhexanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H46O3
InChI InChI=1S/C29H46O3/c1-8-10-17-28(5,18-11-9-2)26(30)32-25-23(20-21-12-14-22(31-7)15-13-21)24-16-19-29(25,6)27(24,3)4/h12-15,23-25H,8-11,16-20H2,1-7H3/t23-,24+,25+,29-/m0/s1
InChIKey CXCYVRVQCHBJPK-RTAAPDIRSA-N
Molecular Weight 442.684 g/mol
SMILES [C@@]12([C@@]([C@@](Cc3ccc(cc3)OC)([C@@](C1(C)C)([H])CC2)[H])(OC(C(CCCC)(CCCC)C)=O)[H])C
SPLASH splash10-01ox-9660000000-eea3a55bb8a114cf23ca
Source of Spectrum C5-2002-1395-7
Synonyms (1R,2R,3S,4R)-3-(4-methoxybenzyl)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl 2-butyl-2-methylhexanoate 2-Butyl-2-methyl-hexanoic acid[(1R,2R,3S,4R)-1,7,7-trimethyl-3-p-anisyl-norbornan-2-yl]ester 2-Butyl-2-methylhexanoic acid[(1R,2S,3R,4R)-2-[(4-methoxyphenyl)methyl]-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl]ester [(1R,2R,3S,4R)-3-[(4-methoxyphenyl)methyl]-1,7,7-trimethyl-norbornan-2-yl]2-butyl-2-methyl-hexanoate [(1R,2S,3R,4R)-2-[(4-methoxyphenyl)methyl]-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl]2-butyl-2-methyl-hexanoate 2-Butyl-2-methylhexanoic acid [(1R,2S,3R,4R)-2-[(4-methoxyphenyl)methyl]-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] ester [(1R,2S,3R,4R)-2-[(4-methoxyphenyl)methyl]-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] 2-butyl-2-methylhexanoate [(1R,2R,3S,4R)-3-[(4-methoxyphenyl)methyl]-1,7,7-trimethyl-norbornan-2-yl] 2-butyl-2-methyl-hexanoate [(1R,2S,3R,4R)-2-[(4-methoxyphenyl)methyl]-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] 2-butyl-2-methyl-hexanoate
Wiley ID 1614748