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4-ISOPROPYLGLUTARALDEHYDIC ACID, METHYL ESTER
SpectraBase Compound ID 2t58Tc4voA8
InChI InChI=1S/C9H16O3/c1-7(2)8(6-10)4-5-9(11)12-3/h6-8H,4-5H2,1-3H3
InChIKey FXFNUQPSOUIAMQ-UHFFFAOYSA-N
Mol Weight 172.22 g/mol
Molecular Formula C9H16O3
Exact Mass 172.109944 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FDNYO3H7u8G
Name 4-ISOPROPYLGLUTARALDEHYDIC ACID, METHYL ESTER
Source of Sample A. Hardt, W. Bremser BASF Ludwigshafen (1983)
CAS Registry Number 70687-49-9
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O3
InChI InChI=1S/C9H16O3/c1-7(2)8(6-10)4-5-9(11)12-3/h6-8H,4-5H2,1-3H3
InChIKey FXFNUQPSOUIAMQ-UHFFFAOYSA-N
Molecular Weight 172.23
Solvent Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Bruker WH-270
Synonyms GLUTARALDEHYDIC ACID, 4-ISOPROPYL-, METHYL ESTER HEXANOIC ACID, 4-FORMYL-5-METHYL-, METHYL ESTER