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5-(diethoxyphosphorylmethyl)-4-(2-keto-2-methoxy-ethyl)-3-(3-keto-3-methoxy-propyl)-1H-pyrrole-2-carboxylic acid tert-butyl ester

View entire compound with spectra: 1 MS (GC)

5-(diethoxyphosphorylmethyl)-4-(2-keto-2-methoxy-ethyl)-3-(3-keto-3-methoxy-propyl)-1H-pyrrole-2-carboxylic acid tert-butyl ester
SpectraBase Compound ID DUBrrP6QaIq
InChI InChI=1S/C21H34NO9P/c1-8-29-32(26,30-9-2)13-16-15(12-18(24)28-7)14(10-11-17(23)27-6)19(22-16)20(25)31-21(3,4)5/h22H,8-13H2,1-7H3
InChIKey AMSVXPGINRUSPY-UHFFFAOYSA-N
Mol Weight 475.5 g/mol
Molecular Formula C21H34NO9P
Exact Mass 475.197119 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ag6nn4aFAOS
Name 5-(diethoxyphosphorylmethyl)-4-(2-keto-2-methoxy-ethyl)-3-(3-keto-3-methoxy-propyl)-1H-pyrrole-2-carboxylic acid tert-butyl ester
Alternate Name(s) 5-(diethoxyphosphorylmethyl)-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylic acid tert-butyl ester tert-Butyl 5-(diethoxyphosphorylmethyl)-4-(2-methoxy-2-oxidanylidene-ethyl)-3-(3-methoxy-3-oxidanylidene-propyl)-1H-pyrrole-2-carboxylate tert-Butyl 5-(diethoxyphosphorylmethyl)-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylate
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Formula C21H34NO9P
InChI InChI=1S/C21H34NO9P/c1-8-29-32(26,30-9-2)13-16-15(12-18(24)28-7)14(10-11-17(23)27-6)19(22-16)20(25)31-21(3,4)5/h22H,8-13H2,1-7H3
InChIKey AMSVXPGINRUSPY-UHFFFAOYSA-N
Molecular Weight 475.475 g/mol
SMILES [nH]1c(c(c(c1CP(=O)(OCC)OCC)CC(=O)OC)CCC(=O)OC)C(OC(C)(C)C)=O
SPLASH splash10-000i-0009200000-7a6d790510cb6e93fc75
Source of Spectrum KC-1992-2180-11
Wiley ID 776897