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5-[(3aR,4S,5R,6aS)-5-(tert-Butyl-dimethyl-silanyloxy)-4-cyano-1,3a,4,5,6,6a-hexahydro-pentalen-2-yl]-pentanoic acid methyl ester

View entire compound with spectra: 1 MS (GC)

5-[(3aR,4S,5R,6aS)-5-(tert-Butyl-dimethyl-silanyloxy)-4-cyano-1,3a,4,5,6,6a-hexahydro-pentalen-2-yl]-pentanoic acid methyl ester
SpectraBase Compound ID KXG2mC1B6Fx
InChI InChI=1S/C21H35NO3Si/c1-21(2,3)26(5,6)25-19-13-16-11-15(12-17(16)18(19)14-22)9-7-8-10-20(23)24-4/h12,16-19H,7-11,13H2,1-6H3
InChIKey QYMZISNEBSUGRM-UHFFFAOYSA-N
Mol Weight 377.6 g/mol
Molecular Formula C21H35NO3Si
Exact Mass 377.238621 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fgo0KTi7eta
Name 5-[(3aR,4S,5R,6aS)-5-(tert-Butyl-dimethyl-silanyloxy)-4-cyano-1,3a,4,5,6,6a-hexahydro-pentalen-2-yl]-pentanoic acid methyl ester
Alternate Name(s) (E)-(1RS,2SR,3RS,5SR)-7-(4'-Methoxycarbonyl)butyl-3-tert-Butyldimethylsilyloxy-2-cyanobicyclo[3.3.0]oct-7-ene methyl 5-(5-{[tert-butyl(dimethyl)silyl]oxy}-4-cyano-1,3a,4,5,6,6a-hexahydro-2-pentalenyl)pentanoate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H35NO3Si
InChI InChI=1S/C21H35NO3Si/c1-21(2,3)26(5,6)25-19-13-16-11-15(12-17(16)18(19)14-22)9-7-8-10-20(23)24-4/h12,16-19H,7-11,13H2,1-6H3
InChIKey QYMZISNEBSUGRM-UHFFFAOYSA-N
Molecular Weight 377.600 g/mol
SMILES C12C(C(O[Si](C(C)(C)C)(C)C)CC2CC(=C1)CCCCC(=O)OC)C#N
SPLASH splash10-00di-0009000000-3d7d0ddb65ac8afa6065
Source of Spectrum KC-0-2677-21
Wiley ID 826091