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Adipic acid dipropyl ester

View entire compound with spectra: 4 NMR, 2 FTIR, and 5 MS (GC)

Adipic acid dipropyl ester
SpectraBase Compound ID 94GSNsrHlw6
InChI InChI=1S/C12H22O4/c1-3-9-15-11(13)7-5-6-8-12(14)16-10-4-2/h3-10H2,1-2H3
InChIKey NKOUWLLFHNBUDW-UHFFFAOYSA-N
Mol Weight 230.3 g/mol
Molecular Formula C12H22O4
Exact Mass 230.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CFJpTIgutRT
Name Hexanedioic acid, dipropyl ester
Alternate Name(s) Dipropyl hexanedioate adipic acid dipropyl ester Adipic acid, di-n-propyl ester Di-n-Propyl adipate Dipropyl adipate AI3-06052 BRN 1785512 EINECS 203-371-9 NSC 4894
CAS Registry Number 106-19-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O4
InChI InChI=1S/C12H22O4/c1-3-9-15-11(13)7-5-6-8-12(14)16-10-4-2/h3-10H2,1-2H3
InChIKey NKOUWLLFHNBUDW-UHFFFAOYSA-N
Molecular Weight 230.304 g/mol
SMILES C(=O)(CCCCC(OCCC)=O)OCCC
SPLASH splash10-0h6r-4900000000-4dbb30c57836b08fbdd6
Source of Spectrum BW-0-0-58511
Wiley ID 1231613