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[5-Hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyl Hexanoate
SpectraBase Compound ID CZRlLW7bhMd
InChI InChI=1S/C14H21NO4/c1-3-4-5-6-13(17)19-9-11-7-15-10(2)14(18)12(11)8-16/h7,16,18H,3-6,8-9H2,1-2H3
InChIKey BATZCZGBYLLJDZ-UHFFFAOYSA-N
Mol Weight 267.32 g/mol
Molecular Formula C14H21NO4
Exact Mass 267.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ff5MTgNRtx9
Name [5-Hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyl Hexanoate
Alternate Name(s) (5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl)methyl hexanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H21NO4
InChI InChI=1S/C14H21NO4/c1-3-4-5-6-13(17)19-9-11-7-15-10(2)14(18)12(11)8-16/h7,16,18H,3-6,8-9H2,1-2H3
InChIKey BATZCZGBYLLJDZ-UHFFFAOYSA-N
Literature Reference DOI 10.1002_(SICI)1522-2675(19981216)81_12_2407
Molecular Weight 267.325 g/mol
SMILES OCc1c(c(ncc1COC(CCCCC)=O)C)O
SPLASH splash10-006x-9500000000-401c0a109f07a86a38a3
Source of Spectrum H-81-2412-5b
Wiley ID 1787474