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4-Methyl-isophthalic acid dimethyl ester
SpectraBase Compound ID K8J4amBanY1
InChI InChI=1S/C11H12O4/c1-7-4-5-8(10(12)14-2)6-9(7)11(13)15-3/h4-6H,1-3H3
InChIKey MTDRWWFCMSDTBL-UHFFFAOYSA-N
Mol Weight 208.21 g/mol
Molecular Formula C11H12O4
Exact Mass 208.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9kGiLEFUtxx
Name 4-Methyl-isophthalic acid dimethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O4
InChI InChI=1S/C11H12O4/c1-7-4-5-8(10(12)14-2)6-9(7)11(13)15-3/h4-6H,1-3H3
InChIKey MTDRWWFCMSDTBL-UHFFFAOYSA-N
Instrument Name HP 6890-5973
Ionization Type EI
Literature Reference DOI 10.1021/jm301539x
Molecular Weight 208.213 g/mol
SMILES c1c(c(cc(c1)C(OC)=O)C(=O)OC)C
SPLASH splash10-0002-9010000000-ac12b58c410840a6038a
Source of Spectrum AF-56-SM13-5
Wiley ID 1854400