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2-Propenoic acid, 2-methyl-3-[2-[(triphenylphosphoranylidene)amino]-1-cyclopenten-1-yl]-, 1,1-dimethylethyl ester, (E)-
SpectraBase Compound ID B2iiSSn6EGf
InChI InChI=1S/C31H34NO2P/c1-24(30(33)34-31(2,3)4)23-25-15-14-22-29(25)32-35(26-16-8-5-9-17-26,27-18-10-6-11-19-27)28-20-12-7-13-21-28/h5-13,16-21,23H,14-15,22H2,1-4H3/b24-23+
InChIKey LMNKPMVJYWJPSY-WCWDXBQESA-N
Mol Weight 483.6 g/mol
Molecular Formula C31H34NO2P
Exact Mass 483.232716 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 47HmafrHpq3
Name 2-Propenoic acid, 2-methyl-3-[2-[(triphenylphosphoranylidene)amino]-1-cyclopenten-1-yl]-, 1,1-dimethylethyl ester, (E)-
CAS Registry Number 124455-73-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H34NO2P
InChI InChI=1S/C31H34NO2P/c1-24(30(33)34-31(2,3)4)23-25-15-14-22-29(25)32-35(26-16-8-5-9-17-26,27-18-10-6-11-19-27)28-20-12-7-13-21-28/h5-13,16-21,23H,14-15,22H2,1-4H3/b24-23+
InChIKey LMNKPMVJYWJPSY-WCWDXBQESA-N
Molecular Weight 483.592 g/mol
SMILES C1(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)=C(\C=C\(C(OC(C)(C)C)=O)C)CCC1
SPLASH splash10-03e9-0593300000-b1509e250fb8b3e13a09
Source of Spectrum KC-1989-1373-9
Synonyms t-Butyl 2-methyl-3-(2-triphenylphosphoranylideneaminocyclo-pent-1-enyl)propionate tert-Butyl (2E)-2-methyl-3-{2-[(triphenylphosphoranylidene)amino]-1-cyclopenten-1-yl}-2-propenoate
Wiley ID 1395875