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(1S,2R,3S)-2-(Tert-butyldiphenylsiloxymethyl)-1-[(1S)-1-(ethoxycarbonyl)ethyl]-3-methylcyclopentane

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(1S,2R,3S)-2-(Tert-butyldiphenylsiloxymethyl)-1-[(1S)-1-(ethoxycarbonyl)ethyl]-3-methylcyclopentane
SpectraBase Compound ID JWA7slmpRHf
InChI InChI=1S/C28H40O3Si/c1-7-30-27(29)22(3)25-19-18-21(2)26(25)20-31-32(28(4,5)6,23-14-10-8-11-15-23)24-16-12-9-13-17-24/h8-17,21-22,25-26H,7,18-20H2,1-6H3/t21-,22-,25+,26+/m0/s1
InChIKey QYJKYTDFQMUTEW-CNXCYTMISA-N
Mol Weight 452.7 g/mol
Molecular Formula C28H40O3Si
Exact Mass 452.274672 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DjHctLyNLGC
Name (1S,2R,3S)-2-(Tert-butyldiphenylsiloxymethyl)-1-[(1S)-1-(ethoxycarbonyl)ethyl]-3-methylcyclopentane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 452.274671680 u
Formula C28H40O3Si
InChI InChI=1S/C28H40O3Si/c1-7-30-27(29)22(3)25-19-18-21(2)26(25)20-31-32(28(4,5)6,23-14-10-8-11-15-23)24-16-12-9-13-17-24/h8-17,21-22,25-26H,7,18-20H2,1-6H3/t21-,22-,25+,26+/m0/s1
InChIKey QYJKYTDFQMUTEW-CNXCYTMISA-N
Molecular Weight 452.710 g/mol
SMILES [C@@]1([C@](CO[Si](C(C)(C)C)(C=2C=CC=CC2)C2=CC=CC=C2)([C@@](C)(CC1)[H])[H])([C@@](C(=O)OCC)(C)[H])[H]