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6-Isopropyl 1-methyl 3-hexylhexanedioate
SpectraBase Compound ID 1zhECEiDdLq
InChI InChI=1S/C16H30O4/c1-5-6-7-8-9-14(12-16(18)19-4)10-11-15(17)20-13(2)3/h13-14H,5-12H2,1-4H3
InChIKey GLRHAIJHJGXVKT-UHFFFAOYSA-N
Mol Weight 286.41 g/mol
Molecular Formula C16H30O4
Exact Mass 286.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6oruTy50b34
Name 6-Isopropyl 1-methyl 3-hexylhexanedioate
Alternate Name(s) Isopropyl 4-(methoxycarbonylmethyl)decanoate 3-Hexylhexanedioic acid O1-methyl ester O6-propan-2-yl ester 1-O-methyl 6-O-propan-2-yl 3-hexylhexanedioate O6-isopropyl O1-methyl 3-hexylhexanedioate O1-methyl O6-propan-2-yl 3-hexylhexanedioate
CAS Registry Number 94608-93-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H30O4
InChI InChI=1S/C16H30O4/c1-5-6-7-8-9-14(12-16(18)19-4)10-11-15(17)20-13(2)3/h13-14H,5-12H2,1-4H3
InChIKey GLRHAIJHJGXVKT-UHFFFAOYSA-N
Molecular Weight 286.412 g/mol
SMILES C(CCCCC(CC(OC)=O)CCC(OC(C)C)=O)C
SPLASH splash10-00di-4920000000-964eec039962ce84ce61
Source of Spectrum NP-9-2898-0
Wiley ID 1108001