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5-(benzenesulfinylmethyl)-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-(benzenesulfinylmethyl)-4-(2-keto-2-methoxy-ethyl)-3-(3-keto-3-methoxy-propyl)-1H-pyrrole-2-carboxylic acid tert-butyl ester
SpectraBase Compound ID L1ZMmzFp72o
InChI InChI=1S/C23H29NO7S/c1-23(2,3)31-22(27)21-16(11-12-19(25)29-4)17(13-20(26)30-5)18(24-21)14-32(28)15-9-7-6-8-10-15/h6-10,24H,11-14H2,1-5H3
InChIKey SBEBNNPEPDHQLD-UHFFFAOYSA-N
Mol Weight 463.55 g/mol
Molecular Formula C23H29NO7S
Exact Mass 463.166473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BVxdq8ZVaQp
Name 5-(benzenesulfinylmethyl)-4-(2-keto-2-methoxy-ethyl)-3-(3-keto-3-methoxy-propyl)-1H-pyrrole-2-carboxylic acid tert-butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H29NO7S
InChI InChI=1S/C23H29NO7S/c1-23(2,3)31-22(27)21-16(11-12-19(25)29-4)17(13-20(26)30-5)18(24-21)14-32(28)15-9-7-6-8-10-15/h6-10,24H,11-14H2,1-5H3
InChIKey SBEBNNPEPDHQLD-UHFFFAOYSA-N
Molecular Weight 463.545 g/mol
SMILES [nH]1c(c(c(c1CS(=O)c1ccccc1)CC(=O)OC)CCC(=O)OC)C(OC(C)(C)C)=O
SPLASH splash10-001i-0092000000-d76eafac897d4cdc3c45
Source of Spectrum KC-1992-2180-14
Synonyms 5-(benzenesulfinylmethyl)-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylic acid tert-butyl ester tert-Butyl 4-(2-methoxy-2-oxidanylidene-ethyl)-3-(3-methoxy-3-oxidanylidene-propyl)-5-(phenylsulfinylmethyl)-1H-pyrrole-2-carboxylate tert-Butyl 5-(benzenesulfinylmethyl)-4-(2-methoxy-2-oxo-ethyl)-3-(3-methoxy-3-oxo-propyl)-1H-pyrrole-2-carboxylate
Wiley ID 776895