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(1R,3aR)-Methyl 1-benzyl-1,6,6-trimethyl-1,2,3,4,5,6-hexahydroindene-3a-carboxylate
SpectraBase Compound ID j1q1fuhgJu
InChI InChI=1S/C21H28O2/c1-19(2)10-12-21(18(22)23-4)13-11-20(3,17(21)15-19)14-16-8-6-5-7-9-16/h5-9,15H,10-14H2,1-4H3/t20-,21-/m1/s1
InChIKey UIHJWTDEXPATQB-NHCUHLMSSA-N
Mol Weight 312.45 g/mol
Molecular Formula C21H28O2
Exact Mass 312.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AQAkEoOjDU1
Name (1R,3aR)-Methyl 1-benzyl-1,6,6-trimethyl-1,2,3,4,5,6-hexahydroindene-3a-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O2
InChI InChI=1S/C21H28O2/c1-19(2)10-12-21(18(22)23-4)13-11-20(3,17(21)15-19)14-16-8-6-5-7-9-16/h5-9,15H,10-14H2,1-4H3/t20-,21-/m1/s1
InChIKey UIHJWTDEXPATQB-NHCUHLMSSA-N
Molecular Weight 312.453 g/mol
SMILES C=12[C@](C(=O)OC)(CC[C@@]2(Cc2ccccc2)C)CCC(C1)(C)C
SPLASH splash10-03di-1930000000-cd83440050953ce6c921
Source of Spectrum F-53-11824-48
Synonyms Methyl (1R,3aR)-1-benzyl-1,6,6-trimethyl-1,2,3,4,5,6-hexahydro-3aH-indene-3a-carboxylate Methyl 1-benzyl-1,6,6-trimethylhexahydroindene-3a-carboxylate
Wiley ID 803366