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tert-Butyl 3-(5-oxopyrrolo[1,2-a]azepin-3-yl)-2-[(triphenyl-lambda5-phosphanylidene)amino]prop-2-enoate
SpectraBase Compound ID 2Rv9OynGq6
InChI InChI=1S/C34H31N2O3P/c1-34(2,3)39-33(38)31(25-27-24-23-26-15-13-14-22-32(37)36(26)27)35-40(28-16-7-4-8-17-28,29-18-9-5-10-19-29)30-20-11-6-12-21-30/h4-25H,1-3H3
InChIKey YTCLIZRFDQPMTF-UHFFFAOYSA-N
Mol Weight 546.6 g/mol
Molecular Formula C34H31N2O3P
Exact Mass 546.20723 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2AAzmyjvGHw
Name tert-Butyl 3-(5-oxopyrrolo[1,2-a]azepin-3-yl)-2-[(triphenyl-lambda5-phosphanylidene)amino]prop-2-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H31N2O3P
InChI InChI=1S/C34H31N2O3P/c1-34(2,3)39-33(38)31(25-27-24-23-26-15-13-14-22-32(37)36(26)27)35-40(28-16-7-4-8-17-28,29-18-9-5-10-19-29)30-20-11-6-12-21-30/h4-25H,1-3H3
InChIKey YTCLIZRFDQPMTF-UHFFFAOYSA-N
Molecular Weight 546.607 g/mol
SMILES C(C(OC(C)(C)C)=O)(N=P(c1ccccc1)(c1ccccc1)c1ccccc1)=Cc1[n]2C(=O)C=CC=Cc2cc1
SPLASH splash10-02di-0090030000-1eda001f34c36c3924c8
Source of Spectrum K-112-3586-16
Synonyms tert-Butyl 3-(5-oxo-5H-pyrrolo[1,2-a]azepin-3-yl)-2-((triphenyl-lambda5-phosphaneylidene)amino)acrylate
Wiley ID 1794290