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rac-[Methyl (1R,2R,3R)-3-[(Benzyloxy)methyl]-2-hydroxy-5,5-dimethylcyclohexane-1-carboxylate]
SpectraBase Compound ID IsL9oo2weSV
InChI InChI=1S/C18H26O4/c1-18(2)9-14(16(19)15(10-18)17(20)21-3)12-22-11-13-7-5-4-6-8-13/h4-8,14-16,19H,9-12H2,1-3H3/t14-,15+,16+/m0/s1
InChIKey YOJVPCDCVQMQHZ-ARFHVFGLSA-N
Mol Weight 306.4 g/mol
Molecular Formula C18H26O4
Exact Mass 306.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID APhQK5VwA6
Name rac-[Methyl (1R,2R,3R)-3-[(Benzyloxy)methyl]-2-hydroxy-5,5-dimethylcyclohexane-1-carboxylate]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26O4
InChI InChI=1S/C18H26O4/c1-18(2)9-14(16(19)15(10-18)17(20)21-3)12-22-11-13-7-5-4-6-8-13/h4-8,14-16,19H,9-12H2,1-3H3/t14-,15+,16+/m0/s1
InChIKey YOJVPCDCVQMQHZ-ARFHVFGLSA-N
Molecular Weight 306.402 g/mol
SMILES O[C@]1([C@](C(=O)OC)(CC(C[C@]1(COCc1ccccc1)[H])(C)C)[H])[H]
SPLASH splash10-0006-9620000000-fa5e47baa3afe8558926
Source of Spectrum J-63-2556-12
Synonyms Methyl (1R,2R,3S)-3-[(benzyloxy)methyl]-2-hydroxy-5,5-dimethylcyclohexanecarboxylate
Wiley ID 1308247