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7-O-butyl 1-O-ethyl heptanedioate

View entire compound with spectra: 1 MS (GC)

7-O-butyl 1-O-ethyl heptanedioate
SpectraBase Compound ID GQP28ijT88W
InChI InChI=1S/C13H24O4/c1-3-5-11-17-13(15)10-8-6-7-9-12(14)16-4-2/h3-11H2,1-2H3
InChIKey KGHINBCZUYSVSN-UHFFFAOYSA-N
Mol Weight 244.33 g/mol
Molecular Formula C13H24O4
Exact Mass 244.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DzqdiGdah7U
Name 7-O-butyl 1-O-ethyl heptanedioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H24O4
InChI InChI=1S/C13H24O4/c1-3-5-11-17-13(15)10-8-6-7-9-12(14)16-4-2/h3-11H2,1-2H3
InChIKey KGHINBCZUYSVSN-UHFFFAOYSA-N
Molecular Weight 244.331 g/mol
SMILES C(=O)(OCCCC)CCCCCC(=O)OCC
SPLASH splash10-00di-0900000000-c7bd11c796c5696745f3
Source of Spectrum F-54-1487-36
Synonyms Heptanedioic acid O7-butyl ester O1-ethyl ester O7-butyl O1-ethyl heptanedioate pimelic acid O7-butyl ester O1-ethyl ester
Wiley ID 805712