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Diethyl 5-(hydroxymethyl)isophthalate
SpectraBase Compound ID 4oQyVexFV7M
InChI InChI=1S/C13H16O5/c1-3-17-12(15)10-5-9(8-14)6-11(7-10)13(16)18-4-2/h5-7,14H,3-4,8H2,1-2H3
InChIKey AMRPMZYDTZVKTP-UHFFFAOYSA-N
Mol Weight 252.27 g/mol
Molecular Formula C13H16O5
Exact Mass 252.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GNtuyxEHov1
Name Diethyl 5-(hydroxymethyl)isophthalate
Alternate Name(s) 5-(hydroxymethyl)benzene-1,3-dicarboxylic acid diethyl ester 5-Methylolbenzene-1,3-dicarboxylic acid diethyl ester Benzene-1,3-dicarboxylic acid, 5-hydroxymethyl-, diethyl ester Diethyl 5-(hydroxymethyl)benzene-1,3-dicarboxylate
CAS Registry Number 181425-91-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O5
InChI InChI=1S/C13H16O5/c1-3-17-12(15)10-5-9(8-14)6-11(7-10)13(16)18-4-2/h5-7,14H,3-4,8H2,1-2H3
InChIKey AMRPMZYDTZVKTP-UHFFFAOYSA-N
Molecular Weight 252.266 g/mol
SMILES OCc1cc(cc(C(=O)OCC)c1)C(=O)OCC
SPLASH splash10-0a7i-6930000000-6b7cda1da33adca32281
Source of Spectrum AD-0-2532-0
Wiley ID 1429823