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(E)-Ethyl 2-(4-chlorobenzylidene)-4-(triisopropylsilyl)but-3-ynoate

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

(E)-Ethyl 2-(4-chlorobenzylidene)-4-(triisopropylsilyl)but-3-ynoate
SpectraBase Compound ID 3tf0Up3TI1k
InChI InChI=1S/C22H31ClO2Si/c1-8-25-22(24)20(15-19-9-11-21(23)12-10-19)13-14-26(16(2)3,17(4)5)18(6)7/h9-12,15-18H,8H2,1-7H3/b20-15+
InChIKey INDJVDXNGULZCO-HMMYKYKNSA-N
Mol Weight 391.03 g/mol
Molecular Formula C22H31ClO2Si
Exact Mass 390.178184 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J1t7nqQeIPu
Name (E)-Ethyl 2-(4-chlorobenzylidene)-4-(triisopropylsilyl)but-3-ynoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 390.178184471 u
Formula C22H31ClO2Si
InChI InChI=1S/C22H31ClO2Si/c1-8-25-22(24)20(15-19-9-11-21(23)12-10-19)13-14-26(16(2)3,17(4)5)18(6)7/h9-12,15-18H,8H2,1-7H3/b20-15+
InChIKey INDJVDXNGULZCO-HMMYKYKNSA-N
Molecular Weight 391.026 g/mol
SMILES C(\C(C#C[Si](C(C)C)(C(C)C)C(C)C)=C\C=1C=CC(=CC1)Cl)(=O)OCC