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2-Pyrrolidinone, 1-[(1,1-dimethylethyl)dimethylsilyl]-3-(1-oxo-12,14-hexadecadienyl)-5-(phenylmethyl)-, [3S-[2.alpha.(12E,14E),5.alpha.]]-
SpectraBase Compound ID Cz142sO1iKX
InChI InChI=1S/C33H53NO2Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-22-25-31(35)30-27-29(26-28-23-20-19-21-24-28)34(32(30)36)37(5,6)33(2,3)4/h7-10,19-21,23-24,29-30H,11-18,22,25-27H2,1-6H3/b8-7+,10-9+/t29-,30?/m0/s1
InChIKey DEBRPCDGAYKMCK-LNOKEDACSA-N
Mol Weight 523.9 g/mol
Molecular Formula C33H53NO2Si
Exact Mass 523.384556 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IGS9vdgI2Ge
Name 2-Pyrrolidinone, 1-[(1,1-dimethylethyl)dimethylsilyl]-3-(1-oxo-12,14-hexadecadienyl)-5-(phenylmethyl)-, [3S-[2.alpha.(12E,14E),5.alpha.]]-
CAS Registry Number 123287-41-2
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H53NO2Si
InChI InChI=1S/C33H53NO2Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-22-25-31(35)30-27-29(26-28-23-20-19-21-24-28)34(32(30)36)37(5,6)33(2,3)4/h7-10,19-21,23-24,29-30H,11-18,22,25-27H2,1-6H3/b8-7+,10-9+/t29-,30?/m0/s1
InChIKey DEBRPCDGAYKMCK-LNOKEDACSA-N
Molecular Weight 523.877 g/mol
SMILES C1(N([C@@](Cc2ccccc2)(CC1C(=O)CCCCCCCCCC\C=C\C=C\C)[H])[Si](C(C)(C)C)(C)C)=O
SPLASH splash10-014i-0000930000-28f4a9ae41e0889ec360
Source of Spectrum KC-1989-494-18
Synonyms (5R)-5-benzyl-1-[tert-butyl(dimethyl)silyl]-3-[(12E,14E)-12,14-hexadecadienoyl]-2-pyrrolidinone (5R,12'E,14'E)-5-benzyl-1-(dimethyl-t-butylsilyl)-3-(1'-oxo-hexadeca-12',14'-dienyl)pyrroliden-2-one
Wiley ID 1402417