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4-(2-keto-2-methoxy-ethyl)-3-(3-keto-3-methoxy-propyl)-5-[(phenylthio)methyl]-1H-pyrrole-2-carboxylic acid tert-butyl ester
SpectraBase Compound ID 8vzNFwxDHbu
InChI InChI=1S/C23H29NO6S/c1-23(2,3)30-22(27)21-16(11-12-19(25)28-4)17(13-20(26)29-5)18(24-21)14-31-15-9-7-6-8-10-15/h6-10,24H,11-14H2,1-5H3
InChIKey ODAZMCLDNCRTLP-UHFFFAOYSA-N
Mol Weight 447.55 g/mol
Molecular Formula C23H29NO6S
Exact Mass 447.171559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BPITLuPMaWy
Name 4-(2-keto-2-methoxy-ethyl)-3-(3-keto-3-methoxy-propyl)-5-[(phenylthio)methyl]-1H-pyrrole-2-carboxylic acid tert-butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H29NO6S
InChI InChI=1S/C23H29NO6S/c1-23(2,3)30-22(27)21-16(11-12-19(25)28-4)17(13-20(26)29-5)18(24-21)14-31-15-9-7-6-8-10-15/h6-10,24H,11-14H2,1-5H3
InChIKey ODAZMCLDNCRTLP-UHFFFAOYSA-N
Molecular Weight 447.546 g/mol
SMILES [nH]1c(c(c(c1C(OC(C)(C)C)=O)CCC(=O)OC)CC(=O)OC)CSc1ccccc1
SPLASH splash10-001i-0092000000-3744dbce611ffb5fafaf
Source of Spectrum KC-1992-2180-12
Synonyms 4-(2-Methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-5-[(phenylthio)methyl]-1H-pyrrole-2-carboxylic acid tert-butyl ester tert-Butyl 4-(2-methoxy-2-oxidanylidene-ethyl)-3-(3-methoxy-3-oxidanylidene-propyl)-5-(phenylsulfanylmethyl)-1H-pyrrole-2-carboxylate tert-Butyl 4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-5-(phenylsulfanylmethyl)-1H-pyrrole-2-carboxylate
Wiley ID 776896