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(phenylmethyl) 5-(acetyloxymethyl)-4-(2-methoxy-2-oxidanylidene-ethyl)-3-(3-methoxy-3-oxidanylidene-propyl)-1H-pyrrole-2-carboxylate
SpectraBase Compound ID 4WExnX2yL5L
InChI InChI=1S/C22H25NO8/c1-14(24)30-13-18-17(11-20(26)29-3)16(9-10-19(25)28-2)21(23-18)22(27)31-12-15-7-5-4-6-8-15/h4-8,23H,9-13H2,1-3H3
InChIKey MCIZKYFQARTIEU-UHFFFAOYSA-N
Mol Weight 431.44 g/mol
Molecular Formula C22H25NO8
Exact Mass 431.158017 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 55OTvRRrG8W
Name (phenylmethyl) 5-(acetyloxymethyl)-4-(2-methoxy-2-oxidanylidene-ethyl)-3-(3-methoxy-3-oxidanylidene-propyl)-1H-pyrrole-2-carboxylate
CAS Registry Number 50622-67-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25NO8
InChI InChI=1S/C22H25NO8/c1-14(24)30-13-18-17(11-20(26)29-3)16(9-10-19(25)28-2)21(23-18)22(27)31-12-15-7-5-4-6-8-15/h4-8,23H,9-13H2,1-3H3
InChIKey MCIZKYFQARTIEU-UHFFFAOYSA-N
Molecular Weight 431.441 g/mol
SMILES [nH]1c(c(c(c1C(OCc1ccccc1)=O)CCC(=O)OC)CC(=O)OC)COC(=O)C
SPLASH splash10-0006-9242100000-ea4be669b95a10d03824
Source of Spectrum KC-1976-286-0
Synonyms 5-(acetoxymethyl)-4-(2-keto-2-methoxy-ethyl)-3-(3-keto-3-methoxy-propyl)-1H-pyrrole-2-carboxylic acid benzyl ester 5-(acetyloxymethyl)-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester benzyl 5-(acetoxymethyl)-4-(2-methoxy-2-oxo-ethyl)-3-(3-methoxy-3-oxo-propyl)-1H-pyrrole-2-carboxylate
Wiley ID 1381948