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(1S*,3aR*,4S*,5R*,7aS*)-5-[(tert-Butyldiphenylsiloxy)methyl]-1-ethyl-2,3,3a,4,5,7a-hexahydro-1H-indene-4-carboxylic Acid Methyl Ester
SpectraBase Compound ID 1ihbf0jvndL
InChI InChI=1S/C30H40O3Si/c1-6-22-17-20-27-26(22)19-18-23(28(27)29(31)32-5)21-33-34(30(2,3)4,24-13-9-7-10-14-24)25-15-11-8-12-16-25/h7-16,18-19,22-23,26-28H,6,17,20-21H2,1-5H3/t22-,23-,26+,27+,28+/m0/s1
InChIKey VAXKJDBKAGLFOP-GFALXYGCSA-N
Mol Weight 476.7 g/mol
Molecular Formula C30H40O3Si
Exact Mass 476.274672 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IAz9O2TrnWj
Name (1S*,3aR*,4S*,5R*,7aS*)-5-[(tert-Butyldiphenylsiloxy)methyl]-1-ethyl-2,3,3a,4,5,7a-hexahydro-1H-indene-4-carboxylic Acid Methyl Ester
Alternate Name(s) methyl (1S,3aR,4S,5R,7aS)-5-({[tert-butyl(diphenyl)silyl]oxy}methyl)-1-ethyl-2,3,3a,4,5,7a-hexahydro-1H-indene-4-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C30H40O3Si
InChI InChI=1S/C30H40O3Si/c1-6-22-17-20-27-26(22)19-18-23(28(27)29(31)32-5)21-33-34(30(2,3)4,24-13-9-7-10-14-24)25-15-11-8-12-16-25/h7-16,18-19,22-23,26-28H,6,17,20-21H2,1-5H3/t22-,23-,26+,27+,28+/m0/s1
InChIKey VAXKJDBKAGLFOP-GFALXYGCSA-N
Molecular Weight 476.732 g/mol
SMILES [C@@]12([C@](C=C[C@]([C@]2(C(=O)OC)[H])(CO[Si](C(C)(C)C)(c2ccccc2)c2ccccc2)[H])([C@@](CC)(CC1)[H])[H])[H]
SPLASH splash10-014i-0000900000-a1204a25517270a2aa0d
Source of Spectrum J-59-343-30
Wiley ID 1394430