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6-keto-6-(2-methylolpyrrol-1-yl)hexanoic acid methyl ester

View entire compound with spectra: 1 MS (GC)

6-keto-6-(2-methylolpyrrol-1-yl)hexanoic acid methyl ester
SpectraBase Compound ID EHjN6c7FdHq
InChI InChI=1S/C12H17NO4/c1-17-12(16)7-3-2-6-11(15)13-8-4-5-10(13)9-14/h4-5,8,14H,2-3,6-7,9H2,1H3
InChIKey OJUGBWJEHINCOZ-UHFFFAOYSA-N
Mol Weight 239.27 g/mol
Molecular Formula C12H17NO4
Exact Mass 239.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C4nt3GKfTyV
Name 6-keto-6-(2-methylolpyrrol-1-yl)hexanoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17NO4
InChI InChI=1S/C12H17NO4/c1-17-12(16)7-3-2-6-11(15)13-8-4-5-10(13)9-14/h4-5,8,14H,2-3,6-7,9H2,1H3
InChIKey OJUGBWJEHINCOZ-UHFFFAOYSA-N
Molecular Weight 239.271 g/mol
SMILES OCc1[n](C(=O)CCCCC(=O)OC)ccc1
SPLASH splash10-000t-9000000000-eb40b0afe7b3aa97fc32
Source of Spectrum B-46-1473-0
Synonyms 6-[2-(hydroxymethyl)-1-pyrrolyl]-6-oxohexanoic acid methyl ester Methyl 6-[2-(hydroxymethyl)pyrrol-1-yl]-6-oxidanylidene-hexanoate Methyl 6-[2-(hydroxymethyl)pyrrol-1-yl]-6-oxohexanoate
Wiley ID 1241847