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1-Azetidineacetic acid, 2-(cyanomethyl)-4-oxo-.alpha.-(triphenylphosphoranylidene)-, (4-nitrophenyl)methyl ester, (.+-.)-

View entire compound with spectra: 1 MS (GC)

1-Azetidineacetic acid, 2-(cyanomethyl)-4-oxo-.alpha.-(triphenylphosphoranylidene)-, (4-nitrophenyl)methyl ester, (.+-.)-
SpectraBase Compound ID JZY3VLZfOGK
InChI InChI=1S/C32H26N3O5P/c33-21-20-26-22-30(36)34(26)31(32(37)40-23-24-16-18-25(19-17-24)35(38)39)41(27-10-4-1-5-11-27,28-12-6-2-7-13-28)29-14-8-3-9-15-29/h1-19,26H,20,22-23H2
InChIKey QKTGUQHINTZKOG-UHFFFAOYSA-N
Mol Weight 563.5 g/mol
Molecular Formula C32H26N3O5P
Exact Mass 563.161008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CWmWPpuiGIm
Name 1-Azetidineacetic acid, 2-(cyanomethyl)-4-oxo-.alpha.-(triphenylphosphoranylidene)-, (4-nitrophenyl)methyl ester, (.+-.)-
CAS Registry Number 127200-67-3
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H26N3O5P
InChI InChI=1S/C32H26N3O5P/c33-21-20-26-22-30(36)34(26)31(32(37)40-23-24-16-18-25(19-17-24)35(38)39)41(27-10-4-1-5-11-27,28-12-6-2-7-13-28)29-14-8-3-9-15-29/h1-19,26H,20,22-23H2
InChIKey QKTGUQHINTZKOG-UHFFFAOYSA-N
Molecular Weight 563.550 g/mol
SMILES C(N1C(=O)CC1CC#N)(=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(OCc1ccc(N(=O)=O)cc1)=O
SPLASH splash10-01t9-0490000000-20fc360ce45b642e16d0
Source of Spectrum KC-1989-2254-1
Synonyms (+-)-p-Nitrobenzyl 2-(4-cyanomethyl-2-oxoazetidin-1-yl)-2-triphenylphosphorane-diylacetate 4-Nitrobenzyl[2-(cyanomethyl)-4-oxo-1-azetidinyl](triphenylphosphoranylidene)acetate
Wiley ID 1407044