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Hexanedioic acid, 3-methyl-, dibutyl ester
SpectraBase Compound ID As1OPOxzKK5
InChI InChI=1S/C15H28O4/c1-4-6-10-18-14(16)9-8-13(3)12-15(17)19-11-7-5-2/h13H,4-12H2,1-3H3
InChIKey JIZBKLUGLZMRMK-UHFFFAOYSA-N
Mol Weight 272.38 g/mol
Molecular Formula C15H28O4
Exact Mass 272.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GXhIyCCX6RC
Name Hexanedioic acid, 3-methyl-, dibutyl ester
CAS Registry Number 56051-58-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H28O4
InChI InChI=1S/C15H28O4/c1-4-6-10-18-14(16)9-8-13(3)12-15(17)19-11-7-5-2/h13H,4-12H2,1-3H3
InChIKey JIZBKLUGLZMRMK-UHFFFAOYSA-N
Molecular Weight 272.385 g/mol
SMILES C(C(CC(OCCCC)=O)C)CC(OCCCC)=O
SPLASH splash10-0005-4900000000-c0ec2a1c00d0639141b2
Source of Spectrum EP-1241-0-0
Synonyms Dibutyl 3-methylhexanedioate 3-Methyladipic acid dibutyl ester 3-Methylhexanedioic acid dibutyl ester
Wiley ID 1276161