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3-[(1S*,2R*)-2-ETHOXYCARBONYL-2-(TRIISOPROPYLSILYLMETHYL)-CYCLOHEX-5-ENYL]-PROPANOIC-ACID
SpectraBase Compound ID 9yxZ1NMwerk
InChI InChI=1S/C22H40O5Si/c1-8-26-21(25)22(14-10-9-11-19(22)12-13-20(23)24)15-27-28(16(2)3,17(4)5)18(6)7/h9,11,16-19H,8,10,12-15H2,1-7H3,(H,23,24)/t19-,22+/m1/s1
InChIKey SBVFBMNAUFEIOS-KNQAVFIVSA-N
Mol Weight 412.6 g/mol
Molecular Formula C22H40O5Si
Exact Mass 412.264501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID UgHwo7EL2n
Name 3-[(1S,6R)-6-carbethoxy-6-(triisopropylsilyloxymethyl)cyclohex-2-en-1-yl]propionic acid
Alternate Name(s) 3-[(1S,6R)-6-ethoxycarbonyl-6-(triisopropylsilyloxymethyl)cyclohex-2-en-1-yl]propanoic acid 3-[(1S,6R)-6-ethoxycarbonyl-6-[tri(propan-2-yl)silyloxymethyl]-1-cyclohex-2-enyl]propanoic acid 3-[(1S,6R)-6-ethoxycarbonyl-6-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-yl]propanoic acid
Comments Less than 3 mono-isotopic peaks
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Formula C22H40O5Si
InChI InChI=1S/C22H40O5Si/c1-8-26-21(25)22(14-10-9-11-19(22)12-13-20(23)24)15-27-28(16(2)3,17(4)5)18(6)7/h9,11,16-19H,8,10,12-15H2,1-7H3,(H,23,24)/t19-,22+/m1/s1
InChIKey SBVFBMNAUFEIOS-KNQAVFIVSA-N
Molecular Weight 412.642 g/mol
SMILES OC(CC[C@@]1([C@@](C(=O)OCC)(CO[Si](C(C)C)(C(C)C)C(C)C)CCC=C1)[H])=O
SPLASH splash10-014i-0009000000-d7a2fcb908d799450147
Source of Spectrum KC-0-4050-18
Wiley ID 827092