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3-Pentylpentanedioic acid, dimethyl ester

View entire compound with spectra: 2 MS (GC)

3-Pentylpentanedioic acid, dimethyl ester
SpectraBase Compound ID XNBea3wn8k
InChI InChI=1S/C12H22O4/c1-4-5-6-7-10(8-11(13)15-2)9-12(14)16-3/h10H,4-9H2,1-3H3
InChIKey MGKNBUGYUUYYFA-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 3LQ2j7Y5Ln6
Name 3-Pentylpentanedioic acid, dimethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O4
InChI InChI=1S/C12H22O4/c1-4-5-6-7-10(8-11(13)15-2)9-12(14)16-3/h10H,4-9H2,1-3H3
InChIKey MGKNBUGYUUYYFA-UHFFFAOYSA-N
Molecular Weight 230.304 g/mol
SMILES C(=O)(CC(CC(OC)=O)CCCCC)OC
SPLASH splash10-0a4i-9600000000-e102705d70f7bfa69ffd
Synonyms 3-Amylglutaric acid dimethyl ester Dimethyl 3-pentylpentanedioate
Wiley ID 1486944