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(3R,6S)-1-Benzyl 2-Methyl 3,6-Dimethyl-1,4-cyclohexadiene-1,2-dicarboxylate
SpectraBase Compound ID 7tqsL6yHBGu
InChI InChI=1S/C18H20O4/c1-12-9-10-13(2)16(15(12)17(19)21-3)18(20)22-11-14-7-5-4-6-8-14/h4-10,12-13H,11H2,1-3H3/t12-,13+/m1/s1
InChIKey PDBCZBHTMFAUGJ-OLZOCXBDSA-N
Mol Weight 300.35 g/mol
Molecular Formula C18H20O4
Exact Mass 300.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ict2Nf5e0t
Name (3R,6S)-1-Benzyl 2-Methyl 3,6-Dimethyl-1,4-cyclohexadiene-1,2-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20O4
InChI InChI=1S/C18H20O4/c1-12-9-10-13(2)16(15(12)17(19)21-3)18(20)22-11-14-7-5-4-6-8-14/h4-10,12-13H,11H2,1-3H3/t12-,13+/m1/s1
InChIKey PDBCZBHTMFAUGJ-OLZOCXBDSA-N
Molecular Weight 300.354 g/mol
SMILES C1(=C(C(=O)OC)[C@](C)(C=C[C@@]1(C)[H])[H])C(OCc1ccccc1)=O
SPLASH splash10-0006-9600000000-39763d63e22ab1f1e41e
Source of Spectrum J-59-1508-11
Synonyms 1-Benzyl 2-methyl (3R,6S)-3,6-dimethyl-1,4-cyclohexadiene-1,2-dicarboxylate
Wiley ID 1303079