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Benzyl (1E, 3E)-1-(diethoxyphosphoryl)-4-phenylbuta-1,3-dienylcarbamate
SpectraBase Compound ID JubFkuhtQCT
InChI InChI=1S/C22H26NO5P/c1-3-27-29(25,28-4-2)21(17-11-16-19-12-7-5-8-13-19)23-22(24)26-18-20-14-9-6-10-15-20/h5-17H,3-4,18H2,1-2H3,(H,23,24)/b16-11+,21-17+
InChIKey AILHBDTXFLEIHT-KCLOMAENSA-N
Mol Weight 415.43 g/mol
Molecular Formula C22H26NO5P
Exact Mass 415.15486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1tc2GlYHZG
Name Benzyl (1E, 3E)-1-(diethoxyphosphoryl)-4-phenylbuta-1,3-dienylcarbamate
Alternate Name(s) benzyl ((1E,3E)-1-(diethoxyphosphoryl)-4-phenylbuta-1,3-dien-1-yl)carbamate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26NO5P
InChI InChI=1S/C22H26NO5P/c1-3-27-29(25,28-4-2)21(17-11-16-19-12-7-5-8-13-19)23-22(24)26-18-20-14-9-6-10-15-20/h5-17H,3-4,18H2,1-2H3,(H,23,24)/b16-11+,21-17+
InChIKey AILHBDTXFLEIHT-KCLOMAENSA-N
Literature Reference DOI 10.1002/anie.201104912
Molecular Weight 415.426 g/mol
SMILES N(C(=O)OCc1ccccc1)\C(P(OCC)(=O)OCC)=C/C=C/c1ccccc1
SPLASH splash10-014l-5923700000-5e96194d5b5a831660d2
Source of Spectrum ACI-50-SM13-3q
Wiley ID 1780135