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1H-Pyrrole-3,4-diacetic acid, 2-benzyloxycarbonyl-5-methyl-, diethyl ester
SpectraBase Compound ID G1KQ0yoEYYf
InChI InChI=1S/C21H25NO6/c1-4-26-18(23)11-16-14(3)22-20(17(16)12-19(24)27-5-2)21(25)28-13-15-9-7-6-8-10-15/h6-10,22H,4-5,11-13H2,1-3H3
InChIKey PWSZZMUUGSWMBE-UHFFFAOYSA-N
Mol Weight 387.43 g/mol
Molecular Formula C21H25NO6
Exact Mass 387.168188 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FwI4PtPvKH
Name 1H-Pyrrole-3,4-diacetic acid, 2-benzyloxycarbonyl-5-methyl-, diethyl ester
Alternate Name(s) (phenylmethyl) 3,4-bis(2-ethoxy-2-oxidanylidene-ethyl)-5-methyl-1H-pyrrole-2-carboxylate 3,4-bis(2-ethoxy-2-keto-ethyl)-5-methyl-1H-pyrrole-2-carboxylic acid benzyl ester 3,4-bis(2-ethoxy-2-oxoethyl)-5-methyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester benzyl 3,4-bis(2-ethoxy-2-oxo-ethyl)-5-methyl-1H-pyrrole-2-carboxylate
CAS Registry Number 124481-56-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25NO6
InChI InChI=1S/C21H25NO6/c1-4-26-18(23)11-16-14(3)22-20(17(16)12-19(24)27-5-2)21(25)28-13-15-9-7-6-8-10-15/h6-10,22H,4-5,11-13H2,1-3H3
InChIKey PWSZZMUUGSWMBE-UHFFFAOYSA-N
Molecular Weight 387.432 g/mol
SMILES [nH]1c(c(c(c1C(OCc1ccccc1)=O)CC(=O)OCC)CC(=O)OCC)C
SPLASH splash10-0006-7493000000-e270a7374cd0cc9104af
Wiley ID 1477744