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6-Butyl 1-methyl 3-hexylhexanedioate
SpectraBase Compound ID Cy1Mfmef8oc
InChI InChI=1S/C17H32O4/c1-4-6-8-9-10-15(14-17(19)20-3)11-12-16(18)21-13-7-5-2/h15H,4-14H2,1-3H3
InChIKey CYFUSOYYGVFVLL-UHFFFAOYSA-N
Mol Weight 300.4 g/mol
Molecular Formula C17H32O4
Exact Mass 300.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DVvsdunYVoz
Name 6-Butyl 1-methyl 3-hexylhexanedioate
Alternate Name(s) Butyl 4-(methoxycarbonylmethyl)decanoate 3-Hexylhexanedioic acid O6-butyl ester O1-methyl ester 6-O-butyl 1-O-methyl 3-hexylhexanedioate O6-butyl O1-methyl 3-hexylhexanedioate
CAS Registry Number 94608-94-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H32O4
InChI InChI=1S/C17H32O4/c1-4-6-8-9-10-15(14-17(19)20-3)11-12-16(18)21-13-7-5-2/h15H,4-14H2,1-3H3
InChIKey CYFUSOYYGVFVLL-UHFFFAOYSA-N
Molecular Weight 300.439 g/mol
SMILES CCCCCCC(CCC(OCCCC)=O)CC(OC)=O
SPLASH splash10-004j-5950000000-ce682129a684aa2caaa1
Source of Spectrum NP-10-1080-0
Wiley ID 1108627